3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide

C16H16N2O2S — CID 139011850

IUPAC3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
SMILESCc1ccsc1C1CC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-9-5-6-21-14(9)12-8-13(12)16(20)18-11-4-2-3-10(7-11)15(17)19/h2-7,12-13H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyYNLZVIQPXFVGGI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds4

About 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide

3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 139011850) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
PubChem CID139011850
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
SMILESCc1ccsc1C1CC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-9-5-6-21-14(9)12-8-13(12)16(20)18-11-4-2-3-10(7-11)15(17)19/h2-7,12-13H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyYNLZVIQPXFVGGI-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124574240
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 139003868
trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97349734
2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 86782495
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 91660012
N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
CID 107811444
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124731893
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide (CID 139011850) is 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide is Cc1ccsc1C1CC1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is YNLZVIQPXFVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-5-6-21-14(9)12-8-13(12)16(20)18-11-4-2-3-10(7-11)15(17)19/h2-7,12-13H,8H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide?
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 139011850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).