4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C19H23N3O5S2 — CID 56500766

IUPAC4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C19H23N3O5S2/c1-11-4-5-14(29(25,26)22-6-8-27-9-7-22)10-15(11)18(24)21-19-16(17(20)23)12(2)13(3)28-19/h4-5,10H,6-9H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyYTHURHYQPDGWEH-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.05
Rot. Bonds5

About 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 56500766) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID56500766
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C19H23N3O5S2/c1-11-4-5-14(29(25,26)22-6-8-27-9-7-22)10-15(11)18(24)21-19-16(17(20)23)12(2)13(3)28-19/h4-5,10H,6-9H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyYTHURHYQPDGWEH-UHFFFAOYSA-N
XLogP2.05
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)carbamothioylamino]thiophene-3-carboxylate
CID 2390394
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 56500766) is 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is YTHURHYQPDGWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-11-4-5-14(29(25,26)22-6-8-27-9-7-22)10-15(11)18(24)21-19-16(17(20)23)12(2)13(3)28-19/h4-5,10H,6-9H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 56500766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).