3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C19H23N3O3S — CID 119730952

IUPAC3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-13-7-10-17(21-19(23)14-8-9-15(20)11-14)12-18(13)26(24,25)22-16-5-3-2-4-6-16/h2-7,10,12,14-15,22H,8-9,11,20H2,1H3,(H,21,23)
InChIKeyNBULMQOQDHLCOK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119730952) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119730952
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-13-7-10-17(21-19(23)14-8-9-15(20)11-14)12-18(13)26(24,25)22-16-5-3-2-4-6-16/h2-7,10,12,14-15,22H,8-9,11,20H2,1H3,(H,21,23)
InChIKeyNBULMQOQDHLCOK-UHFFFAOYSA-N
XLogP2.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 119730952) is 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is NBULMQOQDHLCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-7-10-17(21-19(23)14-8-9-15(20)11-14)12-18(13)26(24,25)22-16-5-3-2-4-6-16/h2-7,10,12,14-15,22H,8-9,11,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119730952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).