N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C17H26N4O4S — CID 119465925

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)N1CCCC1=O
InChIInChI=1S/C17H26N4O4S/c1-12(2)16(21-10-4-7-15(21)22)17(23)20-13-5-3-6-14(11-13)26(24,25)19-9-8-18/h3,5-6,11-12,16,19H,4,7-10,18H2,1-2H3,(H,20,23)
InChIKeyXJDPQLJROMWFBV-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.51
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 119465925) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID119465925
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)N1CCCC1=O
InChIInChI=1S/C17H26N4O4S/c1-12(2)16(21-10-4-7-15(21)22)17(23)20-13-5-3-6-14(11-13)26(24,25)19-9-8-18/h3,5-6,11-12,16,19H,4,7-10,18H2,1-2H3,(H,20,23)
InChIKeyXJDPQLJROMWFBV-UHFFFAOYSA-N
XLogP0.51
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
CID 119465681
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
CID 95616837
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91645307
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 119465925) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)N1CCCC1=O.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XJDPQLJROMWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12(2)16(21-10-4-7-15(21)22)17(23)20-13-5-3-6-14(11-13)26(24,25)19-9-8-18/h3,5-6,11-12,16,19H,4,7-10,18H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 382.49 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 119465925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).