4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide

C17H18N2O3S — CID 95289764

IUPAC4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1
InChIInChI=1S/C17H18N2O3S/c1-9-3-6-15(23-9)11-8-12(11)17(21)19-13-7-10(16(18)20)4-5-14(13)22-2/h3-7,11-12H,8H2,1-2H3,(H2,18,20)(H,19,21)/t11-,12+/m0/s1
InChIKeyMJMYHNZBWBVXTQ-NWDGAFQWSA-N
MW330.41 g/mol
LogP2.91
Rot. Bonds5

About 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide

4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 95289764) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
PubChem CID95289764
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1
InChIInChI=1S/C17H18N2O3S/c1-9-3-6-15(23-9)11-8-12(11)17(21)19-13-7-10(16(18)20)4-5-14(13)22-2/h3-7,11-12H,8H2,1-2H3,(H2,18,20)(H,19,21)/t11-,12+/m0/s1
InChIKeyMJMYHNZBWBVXTQ-NWDGAFQWSA-N
XLogP2.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-5-[[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzoic acid
CID 97234084
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(5-carbamoyl-2-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55783035
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071554
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-(butanoylamino)-4-methoxybenzamide
CID 47243869

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide (CID 95289764) is 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1.
What is the InChIKey of 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is MJMYHNZBWBVXTQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-9-3-6-15(23-9)11-8-12(11)17(21)19-13-7-10(16(18)20)4-5-14(13)22-2/h3-7,11-12H,8H2,1-2H3,(H2,18,20)(H,19,21)/t11-,12+/m0/s1.
What are the key properties of 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 95289764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).