N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C17H24N2O3S2 — CID 60609564

IUPACN-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1
InChIInChI=1S/C17H24N2O3S2/c1-12(2)13-4-8-15(9-5-13)24(21,22)19-11-23-10-16(19)17(20)18(3)14-6-7-14/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3
InChIKeyDSJLIJTXOIOQKH-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.49
Rot. Bonds5

About N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 60609564) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID60609564
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1
InChIInChI=1S/C17H24N2O3S2/c1-12(2)13-4-8-15(9-5-13)24(21,22)19-11-23-10-16(19)17(20)18(3)14-6-7-14/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3
InChIKeyDSJLIJTXOIOQKH-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60609469
N-cyclopropyl-N-methyl-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-4-carboxamide
CID 60609544
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
3-(4-chloro-2-fluorophenyl)sulfonyl-N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60609403
(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 34255398
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 95152524
methyl 1-(4-propan-2-ylphenyl)sulfonylaziridine-2-carboxylate
CID 166643397
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 43028510
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 60609564) is N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CSCC2C(=O)N(C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DSJLIJTXOIOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-12(2)13-4-8-15(9-5-13)24(21,22)19-11-23-10-16(19)17(20)18(3)14-6-7-14/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).