N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide

C20H32N2O2S — CID 20630451

IUPACN-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCC(NS(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-4-5-6-16-7-11-18(12-8-16)21-20(23)17-9-13-19(14-10-17)22-25(24)15(2)3/h7-8,11-12,15,17,19,22H,4-6,9-10,13-14H2,1-3H3,(H,21,23)
InChIKeyQHAYUMOSLOFZPH-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.19
Rot. Bonds8

About N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide

N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide (PubChem CID 20630451) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide
PubChem CID20630451
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCC(NS(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-4-5-6-16-7-11-18(12-8-16)21-20(23)17-9-13-19(14-10-17)22-25(24)15(2)3/h7-8,11-12,15,17,19,22H,4-6,9-10,13-14H2,1-3H3,(H,21,23)
InChIKeyQHAYUMOSLOFZPH-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162755830
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N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
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CID 61156078
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
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N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
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CID 109145490

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide (CID 20630451) is N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide is CCCCc1ccc(NC(=O)C2CCC(NS(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The InChIKey is QHAYUMOSLOFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-4-5-6-16-7-11-18(12-8-16)21-20(23)17-9-13-19(14-10-17)22-25(24)15(2)3/h7-8,11-12,15,17,19,22H,4-6,9-10,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide has a molecular weight of 364.56 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).