(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C14H16F2N2O3S2 — CID 97010448

IUPAC(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O3S2/c15-10-3-11(16)5-12(4-10)23(20,21)18-8-22-7-13(18)14(19)17-6-9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H,17,19)/t13-/m0/s1
InChIKeyAJQXKURUYZFWLW-ZDUSSCGKSA-N
MW362.42 g/mol
LogP1.55
Rot. Bonds5

About (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 97010448) has the molecular formula C14H16F2N2O3S2 and a molecular weight of 362.42 g/mol. Its IUPAC name is (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID97010448
Molecular FormulaC14H16F2N2O3S2
Molecular Weight362.42 g/mol
Exact Mass362.06
IUPAC Name(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O3S2/c15-10-3-11(16)5-12(4-10)23(20,21)18-8-22-7-13(18)14(19)17-6-9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H,17,19)/t13-/m0/s1
InChIKeyAJQXKURUYZFWLW-ZDUSSCGKSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 95152524
(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 34255398
methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 95154537
[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 52508717
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
CID 34262312
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514
(4S)-N-(cyclopropylmethyl)-3-(3-methyl-4-nitrobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95271806
tert-butyl (2S)-2-[[(4R)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 141006126
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
(4S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831406

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 97010448) is (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is AJQXKURUYZFWLW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F2N2O3S2/c15-10-3-11(16)5-12(4-10)23(20,21)18-8-22-7-13(18)14(19)17-6-9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97010448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).