N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide

C23H36N4O5S — CID 55938529

IUPACN-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C(C)C)cc1
InChIInChI=1S/C23H36N4O5S/c1-17(2)21(25-33(30,31)20-11-9-19(32-3)10-12-20)22(28)26-13-15-27(16-14-26)23(29)24-18-7-5-4-6-8-18/h9-12,17-18,21,25H,4-8,13-16H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyOWFCWYKLBLVQFU-NRFANRHFSA-N
MW480.63 g/mol
LogP2.18
Rot. Bonds7

About N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide

N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide (PubChem CID 55938529) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
PubChem CID55938529
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC NameN-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C(C)C)cc1
InChIInChI=1S/C23H36N4O5S/c1-17(2)21(25-33(30,31)20-11-9-19(32-3)10-12-20)22(28)26-13-15-27(16-14-26)23(29)24-18-7-5-4-6-8-18/h9-12,17-18,21,25H,4-8,13-16H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyOWFCWYKLBLVQFU-NRFANRHFSA-N
XLogP2.18
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42724995
4-methoxy-N-[(2S)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 38047743
4-methoxy-N-[(2S)-3-methyl-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 55938940
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
CID 47088115
N-[(2S)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzenesulfonamide
CID 33190168
N-(4-aminocyclohexyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119477705
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 32524131
1-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952647
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323822
4-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670347

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide (CID 55938529) is N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C(C)C)cc1.
What is the InChIKey of N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide?
The InChIKey is OWFCWYKLBLVQFU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-17(2)21(25-33(30,31)20-11-9-19(32-3)10-12-20)22(28)26-13-15-27(16-14-26)23(29)24-18-7-5-4-6-8-18/h9-12,17-18,21,25H,4-8,13-16H2,1-3H3,(H,24,29)/t21-/m0/s1.
What are the key properties of N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 55938529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).