N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C23H25N3O2S2 — CID 26899424

IUPACN-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1
InChIInChI=1S/C23H25N3O2S2/c1-4-26(5-2)22(28)19-10-12-20(13-11-19)25-21(27)18-8-6-17(7-9-18)15-30-23-24-16(3)14-29-23/h6-14H,4-5,15H2,1-3H3,(H,25,27)
InChIKeyOVEYHTBQZGYOGQ-UHFFFAOYSA-N
MW439.61 g/mol
LogP5.48
Rot. Bonds8

About N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 26899424) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID26899424
Molecular FormulaC23H25N3O2S2
Molecular Weight439.61 g/mol
Exact Mass439.14
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1
InChIInChI=1S/C23H25N3O2S2/c1-4-26(5-2)22(28)19-10-12-20(13-11-19)25-21(27)18-8-6-17(7-9-18)15-30-23-24-16(3)14-29-23/h6-14H,4-5,15H2,1-3H3,(H,25,27)
InChIKeyOVEYHTBQZGYOGQ-UHFFFAOYSA-N
XLogP5.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55847335
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 51185647
N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 78796286
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-(dicyclopropylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 49398291
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 134016385
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 30091077
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730
N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26522791

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 26899424) is N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is OVEYHTBQZGYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c1-4-26(5-2)22(28)19-10-12-20(13-11-19)25-21(27)18-8-6-17(7-9-18)15-30-23-24-16(3)14-29-23/h6-14H,4-5,15H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 439.61 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 26899424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).