4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C14H16N2OS — CID 81408416

IUPAC4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1N
InChIInChI=1S/C14H16N2OS/c1-9-8-11(5-6-12(9)15)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyCNDHKISWWKXWAC-JTQLQIEISA-N
MW260.36 g/mol
LogP3.13
Rot. Bonds3

About 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide

4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 81408416) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID81408416
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1N
InChIInChI=1S/C14H16N2OS/c1-9-8-11(5-6-12(9)15)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyCNDHKISWWKXWAC-JTQLQIEISA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 63210486
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 81408416) is 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide is Cc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is CNDHKISWWKXWAC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-8-11(5-6-12(9)15)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 81408416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).