1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H17N3O3S2 — CID 3739028

IUPAC1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-11-4-6-12(7-5-11)23(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-22-15/h4-8,10,13H,2-3,9H2,1H3,(H,16,17,19)
InChIKeyBUBDWBMVMWMBJV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 3739028) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID3739028
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-11-4-6-12(7-5-11)23(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-22-15/h4-8,10,13H,2-3,9H2,1H3,(H,16,17,19)
InChIKeyBUBDWBMVMWMBJV-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
Mls000757107
CID 324088
(2S)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 1538492
3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 9799942
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714
3-cyclopentyl-2-(3-fluoro-4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 22315157
(2S)-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25069589
(2S)-3-cyclohexyl-2-[4-(2-fluoro-4-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25072138
(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25073999
(E)-3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 46946861
(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide
CID 52943981
6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
CID 647437

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 3739028) is 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is BUBDWBMVMWMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-11-4-6-12(7-5-11)23(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-22-15/h4-8,10,13H,2-3,9H2,1H3,(H,16,17,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3739028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).