cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide

C18H19NOS — CID 97258874

IUPACcis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCSc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H19NOS/c1-12-8-9-14(21-2)10-17(12)19-18(20)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16H,11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyMUNJTZGWVHLJIB-HZPDHXFCSA-N
MW297.42 g/mol
LogP4.46
Rot. Bonds4

About cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 97258874) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID97258874
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Namecis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCSc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H19NOS/c1-12-8-9-14(21-2)10-17(12)19-18(20)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16H,11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyMUNJTZGWVHLJIB-HZPDHXFCSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 97258874) is cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide is CSc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1.
What is the InChIKey of cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MUNJTZGWVHLJIB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-8-9-14(21-2)10-17(12)19-18(20)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16H,11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 97258874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).