N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide

C16H20N2OS — CID 86909665

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12-9-10-20-15(12)16(19)17-14(11-18(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,17,19)
InChIKeyHQDAVRAALBNGTA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide (PubChem CID 86909665) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
PubChem CID86909665
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12-9-10-20-15(12)16(19)17-14(11-18(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,17,19)
InChIKeyHQDAVRAALBNGTA-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[(3-methylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 46657556
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
CID 8938472
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide (CID 86909665) is N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is HQDAVRAALBNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-9-10-20-15(12)16(19)17-14(11-18(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86909665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).