2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide

C19H24N2O2S — CID 31445121

IUPAC2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccsc1)C(C)C
InChIInChI=1S/C19H24N2O2S/c1-13(2)17(19(23)21(4)11-15-9-10-24-12-15)20-18(22)16-8-6-5-7-14(16)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeySGYUANFTRXDUOS-KRWDZBQOSA-N
MW344.48 g/mol
LogP3.47
Rot. Bonds6

About 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 31445121) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID31445121
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccsc1)C(C)C
InChIInChI=1S/C19H24N2O2S/c1-13(2)17(19(23)21(4)11-15-9-10-24-12-15)20-18(22)16-8-6-5-7-14(16)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeySGYUANFTRXDUOS-KRWDZBQOSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-cyanophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134054747
N-[1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51185304
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926918
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 31791149
2-chloro-N-[(2R)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]-4-nitrobenzamide
CID 51923694
2-[methyl-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]propanoic acid
CID 119358802
N-[1-[bis(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51163016
N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55328947
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 78796123
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
2-chloro-N-[(2S)-1-[(2-chlorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 31146281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide (CID 31445121) is 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccsc1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is SGYUANFTRXDUOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(2)17(19(23)21(4)11-15-9-10-24-12-15)20-18(22)16-8-6-5-7-14(16)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 31445121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).