cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C19H20N2O5S — CID 120677340

IUPACcis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c22-18(20-16-9-6-14(12-16)19(23)24)13-7-10-17(11-8-13)27(25,26)21-15-4-2-1-3-5-15/h1-5,7-8,10-11,14,16,21H,6,9,12H2,(H,20,22)(H,23,24)/t14-,16+/m1/s1
InChIKeyKVWDZMVBZFBSTC-ZBFHGGJFSA-N
MW388.45 g/mol
LogP2.47
Rot. Bonds6

About cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677340) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677340
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namecis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c22-18(20-16-9-6-14(12-16)19(23)24)13-7-10-17(11-8-13)27(25,26)21-15-4-2-1-3-5-15/h1-5,7-8,10-11,14,16,21H,6,9,12H2,(H,20,22)(H,23,24)/t14-,16+/m1/s1
InChIKeyKVWDZMVBZFBSTC-ZBFHGGJFSA-N
XLogP2.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 18106352
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120677340) is cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KVWDZMVBZFBSTC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(20-16-9-6-14(12-16)19(23)24)13-7-10-17(11-8-13)27(25,26)21-15-4-2-1-3-5-15/h1-5,7-8,10-11,14,16,21H,6,9,12H2,(H,20,22)(H,23,24)/t14-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 388.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).