N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

C17H18N2O2S — CID 78808757

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-19(11-15(20)18-13-7-8-13)17(21)16-14(9-10-22-16)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3,(H,18,20)
InChIKeyNVWBOFPOKTWBTP-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 78808757) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID78808757
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-19(11-15(20)18-13-7-8-13)17(21)16-14(9-10-22-16)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3,(H,18,20)
InChIKeyNVWBOFPOKTWBTP-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 78808882
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide
CID 94193069
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79332055

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 78808757) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is NVWBOFPOKTWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19(11-15(20)18-13-7-8-13)17(21)16-14(9-10-22-16)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 78808757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).