N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

C22H25N3O3S2 — CID 50928103

IUPACN-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-5-16-6-10-19(11-7-16)25(4)30(27,28)20-14-15-29-21(20)22(26)23-17-8-12-18(13-9-17)24(2)3/h6-15H,5H2,1-4H3,(H,23,26)
InChIKeyZGAASHIHZXJULF-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.45
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 50928103) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID50928103
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-5-16-6-10-19(11-7-16)25(4)30(27,28)20-14-15-29-21(20)22(26)23-17-8-12-18(13-9-17)24(2)3/h6-15H,5H2,1-4H3,(H,23,26)
InChIKeyZGAASHIHZXJULF-UHFFFAOYSA-N
XLogP4.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 50928103) is N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is ZGAASHIHZXJULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-5-16-6-10-19(11-7-16)25(4)30(27,28)20-14-15-29-21(20)22(26)23-17-8-12-18(13-9-17)24(2)3/h6-15H,5H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 50928103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).