(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide

C22H30N4O4S — CID 118088824

IUPAC(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3NCC[C@H]3C3CCCCC3)cc2)oc1C
InChIInChI=1S/C22H30N4O4S/c1-14-15(2)30-22(24-14)26-31(28,29)18-10-8-17(9-11-18)25-21(27)20-19(12-13-23-20)16-6-4-3-5-7-16/h8-11,16,19-20,23H,3-7,12-13H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKeyRXVWVCRISRJXNV-PMACEKPBSA-N
MW446.57 g/mol
LogP3.59
Rot. Bonds6

About (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide

(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 118088824) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID118088824
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3NCC[C@H]3C3CCCCC3)cc2)oc1C
InChIInChI=1S/C22H30N4O4S/c1-14-15(2)30-22(24-14)26-31(28,29)18-10-8-17(9-11-18)25-21(27)20-19(12-13-23-20)16-6-4-3-5-7-16/h8-11,16,19-20,23H,3-7,12-13H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKeyRXVWVCRISRJXNV-PMACEKPBSA-N
XLogP3.59
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118088823
(2S,3S)-3-cyclohexyl-N-[4-(pyridin-2-ylsulfonylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153322033
(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 130409737
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 130409744
3-(2-methoxyethoxy)propyl 5-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 118089212
ethyl 6-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1H-benzimidazole-2-carboxylate
CID 118247308
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
[(2S)-oxolan-2-yl]methyl 5-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 118090036
ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1H-indole-2-carboxylate
CID 126493458
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036
(2S)-3-cyclohexyl-N-(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)pyrrolidine-2-carboxamide
CID 126493482

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide (CID 118088824) is (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3NCC[C@H]3C3CCCCC3)cc2)oc1C.
What is the InChIKey of (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RXVWVCRISRJXNV-PMACEKPBSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-14-15(2)30-22(24-14)26-31(28,29)18-10-8-17(9-11-18)25-21(27)20-19(12-13-23-20)16-6-4-3-5-7-16/h8-11,16,19-20,23H,3-7,12-13H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118088824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).