N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C20H32N2O5S — CID 20629662

IUPACN-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC
InChIInChI=1S/C20H32N2O5S/c1-5-26-18-12-11-17(13-19(18)27-6-2)21-20(23)15-7-9-16(10-8-15)22-28(24,25)14(3)4/h11-16,22H,5-10H2,1-4H3,(H,21,23)
InChIKeyYMDRNGQITQBYIE-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.31
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20629662) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20629662
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC NameN-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC
InChIInChI=1S/C20H32N2O5S/c1-5-26-18-12-11-17(13-19(18)27-6-2)21-20(23)15-7-9-16(10-8-15)22-28(24,25)14(3)4/h11-16,22H,5-10H2,1-4H3,(H,21,23)
InChIKeyYMDRNGQITQBYIE-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630560
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-(6-butoxy-3-pyridinyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630803
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20629662) is N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is YMDRNGQITQBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5S/c1-5-26-18-12-11-17(13-19(18)27-6-2)21-20(23)15-7-9-16(10-8-15)22-28(24,25)14(3)4/h11-16,22H,5-10H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 412.55 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20629662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).