N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide

C18H24N2OS — CID 43006702

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC(c1cccs1)N(C)C)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-11,14,16H,12-13H2,1-3H3,(H,19,21)
InChIKeyCJDDGPDTTLNZTN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide (PubChem CID 43006702) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
PubChem CID43006702
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC(c1cccs1)N(C)C)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-11,14,16H,12-13H2,1-3H3,(H,19,21)
InChIKeyCJDDGPDTTLNZTN-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide 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

3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 29418275
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide (CID 43006702) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide is CC(CC(=O)NCC(c1cccs1)N(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide?
The InChIKey is CJDDGPDTTLNZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-11,14,16H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide is sourced from PubChem (CID 43006702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).