N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide

C16H18N2O2S — CID 39969290

IUPACN-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C16H18N2O2S/c1-17-16(20)13-8-2-3-9-14(13)18-15(19)10-4-6-12-7-5-11-21-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyLDMAGVZLXWGSQC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.07
Rot. Bonds6

About N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide

N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 39969290) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID39969290
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C16H18N2O2S/c1-17-16(20)13-8-2-3-9-14(13)18-15(19)10-4-6-12-7-5-11-21-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyLDMAGVZLXWGSQC-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
CID 56826258
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide (CID 39969290) is N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide is CNC(=O)c1ccccc1NC(=O)CCCc1cccs1.
What is the InChIKey of N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is LDMAGVZLXWGSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-16(20)13-8-2-3-9-14(13)18-15(19)10-4-6-12-7-5-11-21-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide?
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 302.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 39969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).