2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide

C17H20N2OS — CID 60516192

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(Cc1ccsc1)C1CC1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-18(15-5-3-2-4-6-15)17(20)12-19(16-7-8-16)11-14-9-10-21-13-14/h2-6,9-10,13,16H,7-8,11-12H2,1H3
InChIKeyWHSZMDPODYHTOB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.38
Rot. Bonds6

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 60516192) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
PubChem CID60516192
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(Cc1ccsc1)C1CC1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-18(15-5-3-2-4-6-15)17(20)12-19(16-7-8-16)11-14-9-10-21-13-14/h2-6,9-10,13,16H,7-8,11-12H2,1H3
InChIKeyWHSZMDPODYHTOB-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 62036847
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036265
4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide (CID 60516192) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide is CN(C(=O)CN(Cc1ccsc1)C1CC1)c1ccccc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is WHSZMDPODYHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18(15-5-3-2-4-6-15)17(20)12-19(16-7-8-16)11-14-9-10-21-13-14/h2-6,9-10,13,16H,7-8,11-12H2,1H3.
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 60516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).