4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide

C18H20N2O2S — CID 125439628

IUPAC4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESCC1(C)C[C@]1(C(=O)NCc1ccc(C(N)=O)cc1)c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-17(2)11-18(17,14-4-3-9-23-14)16(22)20-10-12-5-7-13(8-6-12)15(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,22)/t18-/m1/s1
InChIKeyIGXZUCVCKPGHJP-GOSISDBHSA-N
MW328.44 g/mol
LogP2.83
Rot. Bonds5

About 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide

4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 125439628) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID125439628
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
SMILESCC1(C)C[C@]1(C(=O)NCc1ccc(C(N)=O)cc1)c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-17(2)11-18(17,14-4-3-9-23-14)16(22)20-10-12-5-7-13(8-6-12)15(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,22)/t18-/m1/s1
InChIKeyIGXZUCVCKPGHJP-GOSISDBHSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125160348
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CID 99972742
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 131941007
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CID 125166903
4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 108743971
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421
4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 95204397
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide (CID 125439628) is 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide is CC1(C)C[C@]1(C(=O)NCc1ccc(C(N)=O)cc1)c1cccs1.
What is the InChIKey of 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is IGXZUCVCKPGHJP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-17(2)11-18(17,14-4-3-9-23-14)16(22)20-10-12-5-7-13(8-6-12)15(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,22)/t18-/m1/s1.
What are the key properties of 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide?
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 328.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 125439628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).