(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide

C15H18N2OS — CID 94821156

IUPAC(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-11-5-3-6-13(9-11)17-12(2)15(18)16-10-14-7-4-8-19-14/h3-9,12,17H,10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyPACQJWVDSOMMCB-LBPRGKRZSA-N
MW274.39 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 94821156) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID94821156
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-11-5-3-6-13(9-11)17-12(2)15(18)16-10-14-7-4-8-19-14/h3-9,12,17H,10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyPACQJWVDSOMMCB-LBPRGKRZSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
2-[3-[(3-cyanophenyl)methoxy]anilino]-N-(thiophen-2-ylmethyl)propanamide
CID 60542520
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 8956023
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8734748
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide (CID 94821156) is (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide is Cc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1.
What is the InChIKey of (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PACQJWVDSOMMCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-5-3-6-13(9-11)17-12(2)15(18)16-10-14-7-4-8-19-14/h3-9,12,17H,10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 94821156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).