N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide

C16H21N3O3S — CID 110773672

IUPACN-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)n1C
InChIInChI=1S/C16H21N3O3S/c1-11-8-14(12(2)19(11)3)9-16(20)18-10-13-4-6-15(7-5-13)23(17,21)22/h4-8H,9-10H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyZRDZWIDQQVBYLF-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.15
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide

N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (PubChem CID 110773672) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
PubChem CID110773672
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)n1C
InChIInChI=1S/C16H21N3O3S/c1-11-8-14(12(2)19(11)3)9-16(20)18-10-13-4-6-15(7-5-13)23(17,21)22/h4-8H,9-10H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyZRDZWIDQQVBYLF-UHFFFAOYSA-N
XLogP1.15
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (CID 110773672) is N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)n1C.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The InChIKey is ZRDZWIDQQVBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-8-14(12(2)19(11)3)9-16(20)18-10-13-4-6-15(7-5-13)23(17,21)22/h4-8H,9-10H2,1-3H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is sourced from PubChem (CID 110773672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).