5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

C23H17Cl2N3OS — CID 143878899

IUPAC5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc2c(NSc3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C23H17Cl2N3OS/c24-15-11-16(25)13-18(12-15)30-28-22-9-4-6-19-20(22)7-3-8-21(19)23(29)27-14-17-5-1-2-10-26-17/h1-13,28H,14H2,(H,27,29)
InChIKeyIHDCEJGOBITIND-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.59
Rot. Bonds6

About 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide (PubChem CID 143878899) has the molecular formula C23H17Cl2N3OS and a molecular weight of 454.38 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
PubChem CID143878899
Molecular FormulaC23H17Cl2N3OS
Molecular Weight454.38 g/mol
Exact Mass453.05
IUPAC Name5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc2c(NSc3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C23H17Cl2N3OS/c24-15-11-16(25)13-18(12-15)30-28-22-9-4-6-19-20(22)7-3-8-21(19)23(29)27-14-17-5-1-2-10-26-17/h1-13,28H,14H2,(H,27,29)
InChIKeyIHDCEJGOBITIND-UHFFFAOYSA-N
XLogP6.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
2-[(3,5-dichlorophenyl)sulfonyl-[5-(pyridin-2-ylmethylcarbamoyl)naphthalen-1-yl]amino]hexanoic acid
CID 66908914
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 168638648
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide (CID 143878899) is 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide is O=C(NCc1ccccn1)c1cccc2c(NSc3cc(Cl)cc(Cl)c3)cccc12.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is IHDCEJGOBITIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3OS/c24-15-11-16(25)13-18(12-15)30-28-22-9-4-6-19-20(22)7-3-8-21(19)23(29)27-14-17-5-1-2-10-26-17/h1-13,28H,14H2,(H,27,29).
What are the key properties of 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfanylamino]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 143878899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).