N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide

C31H26F2N4O4S — CID 23017314

IUPACN-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C31H26F2N4O4S/c32-27-13-12-25(19-28(27)33)42(40,41)36-30(38)14-11-23-10-9-21(20-37-16-4-15-34-37)17-29(23)35-31(39)18-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,35,39)(H,36,38)
InChIKeyFIAAQMNALYKJCD-UHFFFAOYSA-N
MW588.64 g/mol
LogP4.98
Rot. Bonds10

About N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide

N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 23017314) has the molecular formula C31H26F2N4O4S and a molecular weight of 588.64 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID23017314
Molecular FormulaC31H26F2N4O4S
Molecular Weight588.64 g/mol
Exact Mass588.16
IUPAC NameN-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C31H26F2N4O4S/c32-27-13-12-25(19-28(27)33)42(40,41)36-30(38)14-11-23-10-9-21(20-37-16-4-15-34-37)17-29(23)35-31(39)18-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,35,39)(H,36,38)
InChIKeyFIAAQMNALYKJCD-UHFFFAOYSA-N
XLogP4.98
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.64
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-N-(naphthalen-1-ylmethyl)-5-(pyrazol-1-ylmethyl)benzamide
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N-(3,4-difluorophenyl)sulfonyl-3-[2-(5-phenylpentyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
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2-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-N-(naphthalen-2-ylmethyl)-5-(pyrazol-1-ylmethyl)benzamide
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1-{1-[(4-fluorophenyl)sulfonyl]-4-piperidinyl}-6-phenyl-1H-indazole-4-carboxamide
CID 24745819
1-{1-[(4-fluorophenyl)sulfonyl]-3-piperidinyl}-6-phenyl-1H-indazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 23017314) is N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(Cc1cccc2ccccc12)Nc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is FIAAQMNALYKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N4O4S/c32-27-13-12-25(19-28(27)33)42(40,41)36-30(38)14-11-23-10-9-21(20-37-16-4-15-34-37)17-29(23)35-31(39)18-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,35,39)(H,36,38).
What are the key properties of N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 588.64 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)sulfonyl-3-[2-[(2-naphthalen-1-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 23017314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).