N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide

C16H22N2O3S2 — CID 60609469

IUPACN-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1
InChIInChI=1S/C16H22N2O3S2/c1-3-12-4-8-14(9-5-12)23(20,21)18-11-22-10-15(18)16(19)17(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyITRAKJZEXDGISQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.93
Rot. Bonds5

About N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide

N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 60609469) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID60609469
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1
InChIInChI=1S/C16H22N2O3S2/c1-3-12-4-8-14(9-5-12)23(20,21)18-11-22-10-15(18)16(19)17(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyITRAKJZEXDGISQ-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 60609564
3-(4-chloro-2-fluorophenyl)sulfonyl-N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60609403
(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 95152524
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879
(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 34255398
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide (CID 60609469) is N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide is CCc1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ITRAKJZEXDGISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-3-12-4-8-14(9-5-12)23(20,21)18-11-22-10-15(18)16(19)17(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).