N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide

C16H18N2O2S — CID 35365510

IUPACN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
SMILESCNC(=O)Cc1ccc(NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-17-16(20)10-12-2-5-14(6-3-12)18-15(19)7-4-13-8-9-21-11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyZWZDKNYMLGSYOB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.61
Rot. Bonds6

About N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide (PubChem CID 35365510) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
PubChem CID35365510
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
SMILESCNC(=O)Cc1ccc(NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-17-16(20)10-12-2-5-14(6-3-12)18-15(19)7-4-13-8-9-21-11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyZWZDKNYMLGSYOB-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide (CID 35365510) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide is CNC(=O)Cc1ccc(NC(=O)CCc2ccsc2)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is ZWZDKNYMLGSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-16(20)10-12-2-5-14(6-3-12)18-15(19)7-4-13-8-9-21-11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide?
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 35365510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).