N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

C30H28N2O4S2 — CID 3565672

IUPACN-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2cccs2)cc1OC
InChIInChI=1S/C30H28N2O4S2/c1-35-24-16-15-22(18-25(24)36-2)29(34)32-23(19-38-30(32)26-14-9-17-37-26)28(33)31-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18,23,27,30H,19H2,1-2H3,(H,31,33)
InChIKeyYQCXPCBVOSFQIU-UHFFFAOYSA-N
MW544.70 g/mol
LogP5.93
Rot. Bonds8

About N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 3565672) has the molecular formula C30H28N2O4S2 and a molecular weight of 544.70 g/mol. Its IUPAC name is N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID3565672
Molecular FormulaC30H28N2O4S2
Molecular Weight544.70 g/mol
Exact Mass544.15
IUPAC NameN-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2cccs2)cc1OC
InChIInChI=1S/C30H28N2O4S2/c1-35-24-16-15-22(18-25(24)36-2)29(34)32-23(19-38-30(32)26-14-9-17-37-26)28(33)31-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18,23,27,30H,19H2,1-2H3,(H,31,33)
InChIKeyYQCXPCBVOSFQIU-UHFFFAOYSA-N
XLogP5.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 4040179
N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749369
N-butyl-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744205
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744214
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728562
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4534669

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (CID 3565672) is N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2cccs2)cc1OC.
What is the InChIKey of N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YQCXPCBVOSFQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S2/c1-35-24-16-15-22(18-25(24)36-2)29(34)32-23(19-38-30(32)26-14-9-17-37-26)28(33)31-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18,23,27,30H,19H2,1-2H3,(H,31,33).
What are the key properties of N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 544.70 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3565672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).