3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide

C19H24N2O5S — CID 31445180

IUPAC3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5S/c1-12(19(23)21(2)10-13-6-7-27-11-13)20-18(22)14-8-15(24-3)17(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)/t12-/m0/s1
InChIKeyKJCRPJFUBSRGBA-LBPRGKRZSA-N
MW392.48 g/mol
LogP2.55
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide

3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 31445180) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID31445180
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5S/c1-12(19(23)21(2)10-13-6-7-27-11-13)20-18(22)14-8-15(24-3)17(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)/t12-/m0/s1
InChIKeyKJCRPJFUBSRGBA-LBPRGKRZSA-N
XLogP2.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
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N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
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3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
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CID 134031135
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
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3-amino-2-methoxy-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 106111308
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-[1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51185313

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide (CID 31445180) is 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide is COc1cc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccsc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KJCRPJFUBSRGBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-12(19(23)21(2)10-13-6-7-27-11-13)20-18(22)14-8-15(24-3)17(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide?
3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 31445180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).