N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C21H21N3O5S2 — CID 30661239

IUPACN-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H21N3O5S2/c1-24(2)31(27,28)19-13-14(10-11-17(19)29-3)22-20(25)15-7-4-5-8-16(15)23-21(26)18-9-6-12-30-18/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQXNUZLLXXSPRGT-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 30661239) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID30661239
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H21N3O5S2/c1-24(2)31(27,28)19-13-14(10-11-17(19)29-3)22-20(25)15-7-4-5-8-16(15)23-21(26)18-9-6-12-30-18/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQXNUZLLXXSPRGT-UHFFFAOYSA-N
XLogP3.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199427
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26176103
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 30661239) is N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QXNUZLLXXSPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-24(2)31(27,28)19-13-14(10-11-17(19)29-3)22-20(25)15-7-4-5-8-16(15)23-21(26)18-9-6-12-30-18/h4-13H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30661239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).