cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

C17H23N2O5S- — CID 6978147

IUPACcis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1
InChIInChI=1S/C17H24N2O5S/c1-11(2)19-25(23,24)13-9-7-12(8-10-13)18-16(20)14-5-3-4-6-15(14)17(21)22/h7-11,14-15,19H,3-6H2,1-2H3,(H,18,20)(H,21,22)/p-1/t14-,15+/m0/s1
InChIKeyGFDNVPYRZKKDBP-LSDHHAIUSA-M
MW367.45 g/mol
LogP0.87
Rot. Bonds6

About cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6978147) has the molecular formula C17H23N2O5S- and a molecular weight of 367.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID6978147
Molecular FormulaC17H23N2O5S-
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Namecis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1
InChIInChI=1S/C17H24N2O5S/c1-11(2)19-25(23,24)13-9-7-12(8-10-13)18-16(20)14-5-3-4-6-15(14)17(21)22/h7-11,14-15,19H,3-6H2,1-2H3,(H,18,20)(H,21,22)/p-1/t14-,15+/m0/s1
InChIKeyGFDNVPYRZKKDBP-LSDHHAIUSA-M
XLogP0.87
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
cis-(1S,2R)-2-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 11918369
cis-(1S,2R)-2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6978999
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
trans-(1R,2R)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964051
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
cis-(1S,2R)-2-[[4-(carboxylatomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7494747
2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 8020238

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate (CID 6978147) is cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1.
What is the InChIKey of cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is GFDNVPYRZKKDBP-LSDHHAIUSA-M. The full InChI is InChI=1S/C17H24N2O5S/c1-11(2)19-25(23,24)13-9-7-12(8-10-13)18-16(20)14-5-3-4-6-15(14)17(21)22/h7-11,14-15,19H,3-6H2,1-2H3,(H,18,20)(H,21,22)/p-1/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6978147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).