3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide

C18H20FN3O3S — CID 119676621

IUPAC3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-13-6-9-15(10-7-13)26(24,25)22-17-4-2-1-3-16(17)21-18(23)12-5-8-14(20)11-12/h1-4,6-7,9-10,12,14,22H,5,8,11,20H2,(H,21,23)
InChIKeyVXWAOKORPVOUCG-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.69
Rot. Bonds5

About 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide

3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide (PubChem CID 119676621) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide
PubChem CID119676621
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-13-6-9-15(10-7-13)26(24,25)22-17-4-2-1-3-16(17)21-18(23)12-5-8-14(20)11-12/h1-4,6-7,9-10,12,14,22H,5,8,11,20H2,(H,21,23)
InChIKeyVXWAOKORPVOUCG-UHFFFAOYSA-N
XLogP2.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119264337
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CID 119704020
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide (CID 119676621) is 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is VXWAOKORPVOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-13-6-9-15(10-7-13)26(24,25)22-17-4-2-1-3-16(17)21-18(23)12-5-8-14(20)11-12/h1-4,6-7,9-10,12,14,22H,5,8,11,20H2,(H,21,23).
What are the key properties of 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119676621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).