N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide

C17H15Cl2N3O2S — CID 164863473

IUPACN-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)cc1NC(C)=O
InChIInChI=1S/C17H15Cl2N3O2S/c1-9(23)21-14-7-10(3-6-15(14)24-2)25-22-13-5-4-11(18)16-12(19)8-20-17(13)16/h3-8,20,22H,1-2H3,(H,21,23)
InChIKeyBRPWZTLHBGMCRI-UHFFFAOYSA-N
MW396.30 g/mol
LogP5.56
Rot. Bonds5

About N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide

N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide (PubChem CID 164863473) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
PubChem CID164863473
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)cc1NC(C)=O
InChIInChI=1S/C17H15Cl2N3O2S/c1-9(23)21-14-7-10(3-6-15(14)24-2)25-22-13-5-4-11(18)16-12(19)8-20-17(13)16/h3-8,20,22H,1-2H3,(H,21,23)
InChIKeyBRPWZTLHBGMCRI-UHFFFAOYSA-N
XLogP5.56
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.30
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[4-(3-methylbutoxy)phenyl]sulfanyl-1H-indol-7-amine
CID 164877569
3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
CID 164877481
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite
CID 164863462
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide (CID 164863473) is N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide is COc1ccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)cc1NC(C)=O.
What is the InChIKey of N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide?
The InChIKey is BRPWZTLHBGMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-9(23)21-14-7-10(3-6-15(14)24-2)25-22-13-5-4-11(18)16-12(19)8-20-17(13)16/h3-8,20,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide?
N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide has a molecular weight of 396.30 g/mol, XLogP of 5.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide is sourced from PubChem (CID 164863473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).