4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide

C17H22N2OS — CID 61335120

IUPAC4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCCc1ccc(C(C)Nc2ccc(C(=O)N(C)C)cc2)s1
InChIInChI=1S/C17H22N2OS/c1-5-15-10-11-16(21-15)12(2)18-14-8-6-13(7-9-14)17(20)19(3)4/h6-12,18H,5H2,1-4H3
InChIKeyYSFDBCCMDYEYDP-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.19
Rot. Bonds5

About 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide

4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 61335120) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
PubChem CID61335120
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCCc1ccc(C(C)Nc2ccc(C(=O)N(C)C)cc2)s1
InChIInChI=1S/C17H22N2OS/c1-5-15-10-11-16(21-15)12(2)18-14-8-6-13(7-9-14)17(20)19(3)4/h6-12,18H,5H2,1-4H3
InChIKeyYSFDBCCMDYEYDP-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide 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

4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 61335118
N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61335117
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
5-[1-(5-ethylthiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 61334552
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
3-[1-(5-ethylthiophen-2-yl)ethylamino]-4-fluorobenzoic acid
CID 61335160
N,N-dimethyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43681981

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide (CID 61335120) is 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide is CCc1ccc(C(C)Nc2ccc(C(=O)N(C)C)cc2)s1.
What is the InChIKey of 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is YSFDBCCMDYEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-15-10-11-16(21-15)12(2)18-14-8-6-13(7-9-14)17(20)19(3)4/h6-12,18H,5H2,1-4H3.
What are the key properties of 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide?
4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 302.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 61335120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).