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

C16H25N3O3S — CID 119800485

IUPAC3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-4-5-13(17)11-12/h6-9,12-13,19H,2-5,10-11,17H2,1H3,(H,18,20)
InChIKeyZWEGYWACGVDJRH-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.29
Rot. Bonds7

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

3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 119800485) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID119800485
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-4-5-13(17)11-12/h6-9,12-13,19H,2-5,10-11,17H2,1H3,(H,18,20)
InChIKeyZWEGYWACGVDJRH-UHFFFAOYSA-N
XLogP2.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119800484
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide (CID 119800485) is 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ZWEGYWACGVDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-4-5-13(17)11-12/h6-9,12-13,19H,2-5,10-11,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119800485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).