N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C20H30N2O4S — CID 20630584

IUPACN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-14(2)27(24,25)22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)26-13-15-3-4-15/h9-12,14-16,18,22H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyQLQWUOUXIBDOFE-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.30
Rot. Bonds8

About N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630584) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630584
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-14(2)27(24,25)22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)26-13-15-3-4-15/h9-12,14-16,18,22H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyQLQWUOUXIBDOFE-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide
CID 89215053
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
N-(6-butoxy-3-pyridinyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630803
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630560
N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
CID 24811032
4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20630584) is N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1.
What is the InChIKey of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is QLQWUOUXIBDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-14(2)27(24,25)22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)26-13-15-3-4-15/h9-12,14-16,18,22H,3-8,13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).