N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide

C18H24N2OS — CID 42886375

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
SMILESCN(C)C(CNC(=O)CCCc1cccs1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-20(2)17(15-8-4-3-5-9-15)14-19-18(21)12-6-10-16-11-7-13-22-16/h3-5,7-9,11,13,17H,6,10,12,14H2,1-2H3,(H,19,21)
InChIKeyMLDWPLKHSHIETC-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.49
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide

N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide (PubChem CID 42886375) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
PubChem CID42886375
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
SMILESCN(C)C(CNC(=O)CCCc1cccs1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-20(2)17(15-8-4-3-5-9-15)14-19-18(21)12-6-10-16-11-7-13-22-16/h3-5,7-9,11,13,17H,6,10,12,14H2,1-2H3,(H,19,21)
InChIKeyMLDWPLKHSHIETC-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]butanamide
CID 3936263
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide (CID 42886375) is N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide is CN(C)C(CNC(=O)CCCc1cccs1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is MLDWPLKHSHIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-20(2)17(15-8-4-3-5-9-15)14-19-18(21)12-6-10-16-11-7-13-22-16/h3-5,7-9,11,13,17H,6,10,12,14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 42886375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).