N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide

C25H40N4O5S — CID 42724995

IUPACN-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(OC)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1
InChIInChI=1S/C25H40N4O5S/c1-5-18(2)23(27-35(32,33)22-13-11-21(34-4)12-14-22)24(30)28-15-16-29(19(3)17-28)25(31)26-20-9-7-6-8-10-20/h11-14,18-20,23,27H,5-10,15-17H2,1-4H3,(H,26,31)
InChIKeyBTFDVLZYIZNGSF-UHFFFAOYSA-N
MW508.69 g/mol
LogP2.96
Rot. Bonds8

About N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide

N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide (PubChem CID 42724995) has the molecular formula C25H40N4O5S and a molecular weight of 508.69 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
PubChem CID42724995
Molecular FormulaC25H40N4O5S
Molecular Weight508.69 g/mol
Exact Mass508.27
IUPAC NameN-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(OC)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1
InChIInChI=1S/C25H40N4O5S/c1-5-18(2)23(27-35(32,33)22-13-11-21(34-4)12-14-22)24(30)28-15-16-29(19(3)17-28)25(31)26-20-9-7-6-8-10-20/h11-14,18-20,23,27H,5-10,15-17H2,1-4H3,(H,26,31)
InChIKeyBTFDVLZYIZNGSF-UHFFFAOYSA-N
XLogP2.96
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
CID 55938529
N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 4587553
4-[2-(cyclobutanecarbonylamino)-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724981
4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707544
4-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724978
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
4-methyl-N-[(2R,3R)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 41255102
N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
CID 42708187
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
N-(4-chlorophenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42725006
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323822

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide (CID 42724995) is N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide is CCC(C)C(NS(=O)(=O)c1ccc(OC)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is BTFDVLZYIZNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O5S/c1-5-18(2)23(27-35(32,33)22-13-11-21(34-4)12-14-22)24(30)28-15-16-29(19(3)17-28)25(31)26-20-9-7-6-8-10-20/h11-14,18-20,23,27H,5-10,15-17H2,1-4H3,(H,26,31).
What are the key properties of N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 508.69 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42724995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).