cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide

C19H15N3O3S — CID 99813497

IUPACcis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1
InChIInChI=1S/C19H15N3O3S/c20-10-13-4-3-7-14(8-13)17-9-18(17)19(23)22-26(24,25)12-16-6-2-1-5-15(16)11-21/h1-8,17-18H,9,12H2,(H,22,23)/t17-,18-/m0/s1
InChIKeyRVVZWFHKWXTEDV-ROUUACIJSA-N
MW365.41 g/mol
LogP2.18
Rot. Bonds5

About cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide (PubChem CID 99813497) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide
PubChem CID99813497
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Namecis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1
InChIInChI=1S/C19H15N3O3S/c20-10-13-4-3-7-14(8-13)17-9-18(17)19(23)22-26(24,25)12-16-6-2-1-5-15(16)11-21/h1-8,17-18H,9,12H2,(H,22,23)/t17-,18-/m0/s1
InChIKeyRVVZWFHKWXTEDV-ROUUACIJSA-N
XLogP2.18
TPSA110.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-(3-cyanophenyl)-N-(oxan-4-ylmethylsulfonyl)cyclopropane-1-carboxamide
CID 96824685
cis-(1R,2S)-2-(3-cyanophenyl)-N-(oxan-4-ylmethylsulfonyl)cyclopropane-1-carboxamide
CID 96824687
trans-(1S,2S)-2-(3-cyanophenyl)-N-(4-methoxyphenyl)sulfonylcyclopropane-1-carboxamide
CID 96824653
N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 139020987
cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide
CID 95786746
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
ethyl 4-[[(1R,2S)-2-(3-cyanophenyl)cyclopropanecarbonyl]amino]-1H-pyrrole-2-carboxylate
CID 97100274
methyl 4-(3-cyanophenyl)-1-[[2-(2-cyanophenyl)sulfanylphenyl]methyl]pyrrolidine-3-carboxylate
CID 18789551
5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
CID 75403549
(3R,4S)-1-benzyl-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 46839570
cis-(1S,2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 98771169
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide (CID 99813497) is cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide is N#Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1.
What is the InChIKey of cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The InChIKey is RVVZWFHKWXTEDV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H15N3O3S/c20-10-13-4-3-7-14(8-13)17-9-18(17)19(23)22-26(24,25)12-16-6-2-1-5-15(16)11-21/h1-8,17-18H,9,12H2,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99813497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).