N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C23H31N5O4S — CID 53108396

IUPACN-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H31N5O4S/c1-32-19-8-5-9-20(15-19)33(30,31)27-18-14-21(23(29)26-17-6-3-2-4-7-17)22(25-16-18)28-12-10-24-11-13-28/h5,8-9,14-17,24,27H,2-4,6-7,10-13H2,1H3,(H,26,29)
InChIKeyWSKVTQBTRJJIGU-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.36
Rot. Bonds7

About N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108396) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108396
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC NameN-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H31N5O4S/c1-32-19-8-5-9-20(15-19)33(30,31)27-18-14-21(23(29)26-17-6-3-2-4-7-17)22(25-16-18)28-12-10-24-11-13-28/h5,8-9,14-17,24,27H,2-4,6-7,10-13H2,1H3,(H,26,29)
InChIKeyWSKVTQBTRJJIGU-UHFFFAOYSA-N
XLogP2.36
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108396) is N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is COc1cccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is WSKVTQBTRJJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-32-19-8-5-9-20(15-19)33(30,31)27-18-14-21(23(29)26-17-6-3-2-4-7-17)22(25-16-18)28-12-10-24-11-13-28/h5,8-9,14-17,24,27H,2-4,6-7,10-13H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).