N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

C25H19BrN2O2S — CID 18908205

IUPACN-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccccc1Br
InChIInChI=1S/C25H19BrN2O2S/c26-22-10-3-4-11-23(22)28-24(29)16-31-21-9-5-8-20(15-21)27-25(30)19-13-12-17-6-1-2-7-18(17)14-19/h1-15H,16H2,(H,27,30)(H,28,29)
InChIKeyPTJZTONWCPCVHG-UHFFFAOYSA-N
MW491.41 g/mol
LogP6.59
Rot. Bonds6

About N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908205) has the molecular formula C25H19BrN2O2S and a molecular weight of 491.41 g/mol. Its IUPAC name is N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908205
Molecular FormulaC25H19BrN2O2S
Molecular Weight491.41 g/mol
Exact Mass490.04
IUPAC NameN-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccccc1Br
InChIInChI=1S/C25H19BrN2O2S/c26-22-10-3-4-11-23(22)28-24(29)16-31-21-9-5-8-20(15-21)27-25(30)19-13-12-17-6-1-2-7-18(17)14-19/h1-15H,16H2,(H,27,30)(H,28,29)
InChIKeyPTJZTONWCPCVHG-UHFFFAOYSA-N
XLogP6.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908238
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
CID 19318440
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22783191
N-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299275
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299276
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
methyl 2-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18912056

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908205) is N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccccc1Br.
What is the InChIKey of N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is PTJZTONWCPCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O2S/c26-22-10-3-4-11-23(22)28-24(29)16-31-21-9-5-8-20(15-21)27-25(30)19-13-12-17-6-1-2-7-18(17)14-19/h1-15H,16H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 491.41 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).