(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C20H19ClN4O4S2 — CID 93046580

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H19ClN4O4S2/c1-29-15-8-4-13(5-9-15)19-23-24-20(30-19)22-18(26)17-3-2-12-25(17)31(27,28)16-10-6-14(21)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,22,24,26)/t17-/m0/s1
InChIKeyAJNUEWGPSKKCNE-KRWDZBQOSA-N
MW478.98 g/mol
LogP3.66
Rot. Bonds6

About (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 93046580) has the molecular formula C20H19ClN4O4S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID93046580
Molecular FormulaC20H19ClN4O4S2
Molecular Weight478.98 g/mol
Exact Mass478.05
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H19ClN4O4S2/c1-29-15-8-4-13(5-9-15)19-23-24-20(30-19)22-18(26)17-3-2-12-25(17)31(27,28)16-10-6-14(21)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,22,24,26)/t17-/m0/s1
InChIKeyAJNUEWGPSKKCNE-KRWDZBQOSA-N
XLogP3.66
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-methoxyphenyl)sulfonyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 2319678
(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 98421946
(2S)-1-(4-chlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 1468453
(2S)-1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 26857146
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
CID 42662418
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2R)-1-(4-chlorophenyl)sulfonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 100529228
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827627
(2S)-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8927392
2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 42662304
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 42758180

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 93046580) is (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is AJNUEWGPSKKCNE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19ClN4O4S2/c1-29-15-8-4-13(5-9-15)19-23-24-20(30-19)22-18(26)17-3-2-12-25(17)31(27,28)16-10-6-14(21)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,22,24,26)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 93046580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).