N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide

C17H22N2OS — CID 43787656

IUPACN-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-4-18-17(20)13-7-9-14(10-8-13)19-16(12(2)3)15-6-5-11-21-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyMRVMXMHGQSAUAU-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.31
Rot. Bonds6

About N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide

N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide (PubChem CID 43787656) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
PubChem CID43787656
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-4-18-17(20)13-7-9-14(10-8-13)19-16(12(2)3)15-6-5-11-21-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyMRVMXMHGQSAUAU-UHFFFAOYSA-N
XLogP4.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide
CID 55741692
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43791361
N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide (CID 43787656) is N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide is CCNC(=O)c1ccc(NC(c2cccs2)C(C)C)cc1.
What is the InChIKey of N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide?
The InChIKey is MRVMXMHGQSAUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-18-17(20)13-7-9-14(10-8-13)19-16(12(2)3)15-6-5-11-21-15/h5-12,16,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide?
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide has a molecular weight of 302.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide is sourced from PubChem (CID 43787656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).