N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide

C15H19N3O3S — CID 2556847

IUPACN-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)n2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-7-14(18(11)3)10-16-22(20,21)15-8-5-13(6-9-15)17-12(2)19/h4-9,16H,10H2,1-3H3,(H,17,19)
InChIKeyOHDKRENOJVKVER-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.77
Rot. Bonds5

About N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 2556847) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID2556847
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)n2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-7-14(18(11)3)10-16-22(20,21)15-8-5-13(6-9-15)17-12(2)19/h4-9,16H,10H2,1-3H3,(H,17,19)
InChIKeyOHDKRENOJVKVER-UHFFFAOYSA-N
XLogP1.77
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, p-(2,5-dimethylpyrrol-1-yl)-
CID 213325
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 776658
2-[(phenylsulfonyl)amino]-N-(2-pyridylmethyl)acetamide
CID 891903
N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
CID 10765251
N-[4-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]acetamide
CID 16251672
N-[4-[[[2-(2-Pyridinyl)ethyl]amino]sulfonyl]phenyl]acetamide
CID 2562500
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide
CID 4784514
2-(Benzenesulfonyl-methyl-amino)-N-pyridin-2-ylmethyl-acetamide
CID 890526
N-[4-(aminosulfonyl)phenyl]-2-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}acetamide
CID 3238983
N-{4-[({1-[(3-Methylphenyl)methyl]-1H-pyrrol-2-YL}methyl)sulfamoyl]phenyl}acetamide
CID 16028410
N-{4-[({1-[(3-Methylphenyl)methyl]-1H-pyrrol-2-YL}methyl)sulfamoyl]phenyl}propanamide
CID 16028428

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide (CID 2556847) is N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)n2C)cc1.
What is the InChIKey of N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is OHDKRENOJVKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-4-7-14(18(11)3)10-16-22(20,21)15-8-5-13(6-9-15)17-12(2)19/h4-9,16H,10H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2556847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).