trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide

C18H19NO4S — CID 124546246

IUPACtrans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H19NO4S/c1-23-14-5-3-4-12(10-14)16-11-17(16)18(20)19-13-6-8-15(9-7-13)24(2,21)22/h3-10,16-17H,11H2,1-2H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyJOTQWDDTCLAEIC-SJORKVTESA-N
MW345.42 g/mol
LogP2.84
Rot. Bonds5

About trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 124546246) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID124546246
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nametrans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H19NO4S/c1-23-14-5-3-4-12(10-14)16-11-17(16)18(20)19-13-6-8-15(9-7-13)24(2,21)22/h3-10,16-17H,11H2,1-2H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyJOTQWDDTCLAEIC-SJORKVTESA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
2-(3-methoxyphenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 86963502
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 97329645
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
trans-(1S,2S)-2-(3-cyanophenyl)-N-(4-methoxyphenyl)sulfonylcyclopropane-1-carboxamide
CID 96824653

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide (CID 124546246) is trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide is COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JOTQWDDTCLAEIC-SJORKVTESA-N. The full InChI is InChI=1S/C18H19NO4S/c1-23-14-5-3-4-12(10-14)16-11-17(16)18(20)19-13-6-8-15(9-7-13)24(2,21)22/h3-10,16-17H,11H2,1-2H3,(H,19,20)/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124546246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).