1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide

C16H21N3O3S — CID 110699008

IUPAC1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)19-9-8-13(11-19)15(20)18-10-12-4-6-14(7-5-12)23(17,21)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyBSFNEKQSPKNFEZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.82
Rot. Bonds4

About 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide

1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 110699008) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID110699008
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)19-9-8-13(11-19)15(20)18-10-12-4-6-14(7-5-12)23(17,21)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyBSFNEKQSPKNFEZ-UHFFFAOYSA-N
XLogP1.82
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
1-tert-butyl-N-(2-oxopropyl)pyrrole-3-carboxamide
CID 154667911
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
CID 71703823
(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 9352503

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide (CID 110699008) is 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide is CC(C)(C)n1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is BSFNEKQSPKNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-16(2,3)19-9-8-13(11-19)15(20)18-10-12-4-6-14(7-5-12)23(17,21)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H2,17,21,22).
What are the key properties of 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 110699008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).