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

C22H21N3O2S — CID 44578306

IUPAC3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C22H21N3O2S/c1-14-2-5-18(21(27)25-22-23-10-11-28-22)12-19(14)16-6-8-17(9-7-16)20(26)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyHIOYZPRTZOZNTQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.51
Rot. Bonds6

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

3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 44578306) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID44578306
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C22H21N3O2S/c1-14-2-5-18(21(27)25-22-23-10-11-28-22)12-19(14)16-6-8-17(9-7-16)20(26)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyHIOYZPRTZOZNTQ-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 44578306) is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HIOYZPRTZOZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14-2-5-18(21(27)25-22-23-10-11-28-22)12-19(14)16-6-8-17(9-7-16)20(26)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,24,26)(H,23,25,27).
What are the key properties of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 391.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44578306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).