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

C20H30N2O2S — CID 89215053

IUPACN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide
SMILESCC(C)SNC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C20H30N2O2S/c1-14(2)25-22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)24-13-15-3-4-15/h9-12,14-16,18,22H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyPFSVRXPQXLIIIR-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.62
Rot. Bonds8

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

N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide (PubChem CID 89215053) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide
PubChem CID89215053
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide
SMILESCC(C)SNC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C20H30N2O2S/c1-14(2)25-22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)24-13-15-3-4-15/h9-12,14-16,18,22H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyPFSVRXPQXLIIIR-UHFFFAOYSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
2-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185309
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
CID 11601220
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide (CID 89215053) is N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide is CC(C)SNC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1.
What is the InChIKey of N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide?
The InChIKey is PFSVRXPQXLIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-14(2)25-22-18-7-5-16(6-8-18)20(23)21-17-9-11-19(12-10-17)24-13-15-3-4-15/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-ylsulfanylamino)cyclohexane-1-carboxamide?
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 4.62, 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-ylsulfanylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 89215053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).