N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

C30H39ClN2O4S — CID 155531422

IUPACN-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H39ClN2O4S/c1-2-37-26-18-15-23(31)19-25(26)33-29(34)28-27(20-13-16-24(17-14-20)38(32,35)36)30(28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h13-19,21-22,27-28H,2-12H2,1H3,(H,33,34)(H2,32,35,36)
InChIKeyRKWHZFWALVRSDP-UHFFFAOYSA-N
MW559.17 g/mol
LogP6.89
Rot. Bonds8

About N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (PubChem CID 155531422) has the molecular formula C30H39ClN2O4S and a molecular weight of 559.17 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
PubChem CID155531422
Molecular FormulaC30H39ClN2O4S
Molecular Weight559.17 g/mol
Exact Mass558.23
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H39ClN2O4S/c1-2-37-26-18-15-23(31)19-25(26)33-29(34)28-27(20-13-16-24(17-14-20)38(32,35)36)30(28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h13-19,21-22,27-28H,2-12H2,1H3,(H,33,34)(H2,32,35,36)
InChIKeyRKWHZFWALVRSDP-UHFFFAOYSA-N
XLogP6.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.17
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-N-(5-chloro-2-ethoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 162101746
4-[(1R,3R)-3-[2-(5-chloro-2-ethoxyphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 149230900
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
1-amino-N-(5-chloro-2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463820
4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
CID 160850173
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (CID 155531422) is N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is CCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RKWHZFWALVRSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN2O4S/c1-2-37-26-18-15-23(31)19-25(26)33-29(34)28-27(20-13-16-24(17-14-20)38(32,35)36)30(28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h13-19,21-22,27-28H,2-12H2,1H3,(H,33,34)(H2,32,35,36).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide has a molecular weight of 559.17 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155531422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).