N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C17H22N4O4S — CID 31518280

IUPACN-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1
InChIInChI=1S/C17H22N4O4S/c1-4-21(5-2)17(23)12-7-6-8-13(9-12)19-16(22)15-10-14(11-20(15)3)26(18,24)25/h6-11H,4-5H2,1-3H3,(H,19,22)(H2,18,24,25)
InChIKeyQBZJFCXZEQMYBH-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.41
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 31518280) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID31518280
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1
InChIInChI=1S/C17H22N4O4S/c1-4-21(5-2)17(23)12-7-6-8-13(9-12)19-16(22)15-10-14(11-20(15)3)26(18,24)25/h6-11H,4-5H2,1-3H3,(H,19,22)(H2,18,24,25)
InChIKeyQBZJFCXZEQMYBH-UHFFFAOYSA-N
XLogP1.41
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 126493643
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
4-bromo-N-[3-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60698428
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 31518280) is N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is QBZJFCXZEQMYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-4-21(5-2)17(23)12-7-6-8-13(9-12)19-16(22)15-10-14(11-20(15)3)26(18,24)25/h6-11H,4-5H2,1-3H3,(H,19,22)(H2,18,24,25).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 31518280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).