2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide

C27H29N3O4S — CID 53117717

IUPAC2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H29N3O4S/c31-26(29-21-13-14-21)25-10-5-17-28-27(25)34-23-9-4-8-22(18-23)30-35(32,33)24-15-11-20(12-16-24)19-6-2-1-3-7-19/h4-5,8-12,15-19,21,30H,1-3,6-7,13-14H2,(H,29,31)
InChIKeyLCMJFGOCKKEXRN-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.61
Rot. Bonds8

About 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide

2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 53117717) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
PubChem CID53117717
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H29N3O4S/c31-26(29-21-13-14-21)25-10-5-17-28-27(25)34-23-9-4-8-22(18-23)30-35(32,33)24-15-11-20(12-16-24)19-6-2-1-3-7-19/h4-5,8-12,15-19,21,30H,1-3,6-7,13-14H2,(H,29,31)
InChIKeyLCMJFGOCKKEXRN-UHFFFAOYSA-N
XLogP5.61
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide (CID 53117717) is 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is LCMJFGOCKKEXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-26(29-21-13-14-21)25-10-5-17-28-27(25)34-23-9-4-8-22(18-23)30-35(32,33)24-15-11-20(12-16-24)19-6-2-1-3-7-19/h4-5,8-12,15-19,21,30H,1-3,6-7,13-14H2,(H,29,31).
What are the key properties of 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 53117717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).