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

C19H24N2O3S — CID 7997601

IUPAC4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(2)17(19(23)21(3)12-16-6-5-11-25-16)20-18(22)14-7-9-15(24-4)10-8-14/h5-11,13,17H,12H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyFXHYIBSCYXSUAX-KRWDZBQOSA-N
MW360.48 g/mol
LogP3.17
Rot. Bonds7

About 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 7997601) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID7997601
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(2)17(19(23)21(3)12-16-6-5-11-25-16)20-18(22)14-7-9-15(24-4)10-8-14/h5-11,13,17H,12H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyFXHYIBSCYXSUAX-KRWDZBQOSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 119654327
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 134014402
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 32959766
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide (CID 7997601) is 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2cccs2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is FXHYIBSCYXSUAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)17(19(23)21(3)12-16-6-5-11-25-16)20-18(22)14-7-9-15(24-4)10-8-14/h5-11,13,17H,12H2,1-4H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 7997601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).