5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid

C25H28ClN5O6S2 — CID 15983996

IUPAC5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cc(N(C)C)c(C)cc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C24H24ClN5O3S.CH4O3S/c1-14-12-18(28-23(32)20-8-9-21(25)34-20)17(13-19(14)29(2)3)22(31)27-15-4-6-16(7-5-15)30-10-11-33-24(30)26;1-5(2,3)4/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,31)(H,28,32);1H3,(H,2,3,4)/b26-24-;
InChIKeyOJPBKSHQYSMJKT-FSKGQQLBSA-N
MW594.12 g/mol
LogP4.56
Rot. Bonds6

About 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid

5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid (PubChem CID 15983996) has the molecular formula C25H28ClN5O6S2 and a molecular weight of 594.12 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid
PubChem CID15983996
Molecular FormulaC25H28ClN5O6S2
Molecular Weight594.12 g/mol
Exact Mass593.12
IUPAC Name5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cc(N(C)C)c(C)cc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C24H24ClN5O3S.CH4O3S/c1-14-12-18(28-23(32)20-8-9-21(25)34-20)17(13-19(14)29(2)3)22(31)27-15-4-6-16(7-5-15)30-10-11-33-24(30)26;1-5(2,3)4/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,31)(H,28,32);1H3,(H,2,3,4)/b26-24-;
InChIKeyOJPBKSHQYSMJKT-FSKGQQLBSA-N
XLogP4.56
TPSA152.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.12
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[N-(5-chlorothiophene-2-carbonyl)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylanilino]methanesulfonic acid
CID 87710144
4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid
CID 87546545
2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane
CID 158314538
[N-[4-[(5-chlorothiophene-2-carbonyl)amino]pyridine-3-carbonyl]-4-(2-imino-1,3-oxazolidin-3-yl)anilino]methanesulfonic acid
CID 90938937
5-chloro-N-[1-hydroxy-2-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]isoindol-4-yl]thiophene-2-carboxamide
CID 90796954
N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 89112353
5-chloro-N-[6-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]thiophene-2-carboxamide;methane;methanesulfonic acid
CID 159460199
ethane;2-N-(4-ethynylphenyl)-3-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 143235520
[N-[4-chloro-2-[(4-chlorobenzoyl)amino]benzoyl]-4-(2-imino-1,3-oxazolidin-3-yl)anilino]methanesulfonic acid
CID 91368165
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 60707242
5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
CID 91472970
5-chloro-N-[6-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]thiophene-2-carboxamide
CID 23654100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid?
The IUPAC name of 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid (CID 15983996) is 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid.
What is the SMILES notation for 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid?
The canonical SMILES for 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid is CS(=O)(=O)O.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cc(N(C)C)c(C)cc2NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid?
The InChIKey is OJPBKSHQYSMJKT-FSKGQQLBSA-N. The full InChI is InChI=1S/C24H24ClN5O3S.CH4O3S/c1-14-12-18(28-23(32)20-8-9-21(25)34-20)17(13-19(14)29(2)3)22(31)27-15-4-6-16(7-5-15)30-10-11-33-24(30)26;1-5(2,3)4/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,31)(H,28,32);1H3,(H,2,3,4)/b26-24-;.
What are the key properties of 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid?
5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid has a molecular weight of 594.12 g/mol, XLogP of 4.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 15983996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).