N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide

C27H32N4O3S — CID 15944970

IUPACN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H32N4O3S/c1-29-15-17-30(18-16-29)26-12-11-24(35(33,34)31-13-5-2-6-14-31)20-25(26)28-27(32)23-10-9-21-7-3-4-8-22(21)19-23/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3,(H,28,32)
InChIKeyOORBZCIIWKPGFV-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide (PubChem CID 15944970) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide
PubChem CID15944970
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H32N4O3S/c1-29-15-17-30(18-16-29)26-12-11-24(35(33,34)31-13-5-2-6-14-31)20-25(26)28-27(32)23-10-9-21-7-3-4-8-22(21)19-23/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3,(H,28,32)
InChIKeyOORBZCIIWKPGFV-UHFFFAOYSA-N
XLogP4.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide (CID 15944970) is N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide is CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide?
The InChIKey is OORBZCIIWKPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-29-15-17-30(18-16-29)26-12-11-24(35(33,34)31-13-5-2-6-14-31)20-25(26)28-27(32)23-10-9-21-7-3-4-8-22(21)19-23/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3,(H,28,32).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 15944970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).