2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide

C25H22ClN3O2S — CID 18912647

IUPAC2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide
SMILESCC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H22ClN3O2S/c1-16(25(31)29-21-10-7-18-11-12-27-23(18)15-21)32-22-4-2-3-20(14-22)28-24(30)13-17-5-8-19(26)9-6-17/h2-12,14-16,27H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyWRZKGMKTKUESKY-UHFFFAOYSA-N
MW463.99 g/mol
LogP6.12
Rot. Bonds7

About 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide

2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide (PubChem CID 18912647) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide.

Molecular Properties

Compound Name2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide
PubChem CID18912647
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide
SMILESCC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H22ClN3O2S/c1-16(25(31)29-21-10-7-18-11-12-27-23(18)15-21)32-22-4-2-3-20(14-22)28-24(30)13-17-5-8-19(26)9-6-17/h2-12,14-16,27H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyWRZKGMKTKUESKY-UHFFFAOYSA-N
XLogP6.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430
N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913151
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 18902390
3-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096466
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 18899361
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 18902620
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 21169616
N-[(E)-3-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19320547
N-(1,3-benzodioxol-5-yl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylbutanamide
CID 18902585

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide?
The IUPAC name of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide (CID 18912647) is 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide.
What is the SMILES notation for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide?
The canonical SMILES for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide is CC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide?
The InChIKey is WRZKGMKTKUESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-16(25(31)29-21-10-7-18-11-12-27-23(18)15-21)32-22-4-2-3-20(14-22)28-24(30)13-17-5-8-19(26)9-6-17/h2-12,14-16,27H,13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide?
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide has a molecular weight of 463.99 g/mol, XLogP of 6.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide is sourced from PubChem (CID 18912647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).