(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

C19H21ClN2O2S2 — CID 7498305

IUPAC(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)[C@H]1CS[C@H](c2cccs2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2S2/c1-2-3-10-21-17(23)15-12-26-19(16-9-6-11-25-16)22(15)18(24)13-7-4-5-8-14(13)20/h4-9,11,15,19H,2-3,10,12H2,1H3,(H,21,23)/t15-,19-/m1/s1
InChIKeyONALWDBMSSVRBO-DNVCBOLYSA-N
MW408.98 g/mol
LogP4.57
Rot. Bonds6

About (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 7498305) has the molecular formula C19H21ClN2O2S2 and a molecular weight of 408.98 g/mol. Its IUPAC name is (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID7498305
Molecular FormulaC19H21ClN2O2S2
Molecular Weight408.98 g/mol
Exact Mass408.07
IUPAC Name(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)[C@H]1CS[C@H](c2cccs2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2S2/c1-2-3-10-21-17(23)15-12-26-19(16-9-6-11-25-16)22(15)18(24)13-7-4-5-8-14(13)20/h4-9,11,15,19H,2-3,10,12H2,1H3,(H,21,23)/t15-,19-/m1/s1
InChIKeyONALWDBMSSVRBO-DNVCBOLYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.98
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
N-butyl-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744205
3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744185
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 7419657
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744012
(2-chlorophenyl)-(4-heptyl-3-thiophen-2-ylpiperazin-1-yl)methanone
CID 166633188

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (CID 7498305) is (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is CCCCNC(=O)[C@H]1CS[C@H](c2cccs2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ONALWDBMSSVRBO-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S2/c1-2-3-10-21-17(23)15-12-26-19(16-9-6-11-25-16)22(15)18(24)13-7-4-5-8-14(13)20/h4-9,11,15,19H,2-3,10,12H2,1H3,(H,21,23)/t15-,19-/m1/s1.
What are the key properties of (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 408.98 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7498305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).