N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide

C17H19NOS — CID 51055390

IUPACN-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C17H19NOS/c1-12-3-4-13(2)16(9-12)17(19)18(15-5-6-15)10-14-7-8-20-11-14/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUTTLGJAXPIQTPG-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.17
Rot. Bonds4

About N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide

N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 51055390) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID51055390
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C17H19NOS/c1-12-3-4-13(2)16(9-12)17(19)18(15-5-6-15)10-14-7-8-20-11-14/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUTTLGJAXPIQTPG-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 60516341
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-cyclopropyl-4-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81255572
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-[(4R)-azepan-4-yl]-2,5-dimethyl-N-(pyrimidin-5-ylmethyl)benzamide
CID 129465935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide (CID 51055390) is N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide is Cc1ccc(C)c(C(=O)N(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is UTTLGJAXPIQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-3-4-13(2)16(9-12)17(19)18(15-5-6-15)10-14-7-8-20-11-14/h3-4,7-9,11,15H,5-6,10H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide?
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 285.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 51055390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).