N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C22H17ClN2O2S — CID 1291142

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C22H17ClN2O2S/c1-14-17(23)7-4-8-18(14)24-21(26)13-25-12-16(15-6-2-3-9-19(15)25)22(27)20-10-5-11-28-20/h2-12H,13H2,1H3,(H,24,26)
InChIKeyREJAXGJOEZATOR-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.53
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1291142) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1291142
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C22H17ClN2O2S/c1-14-17(23)7-4-8-18(14)24-21(26)13-25-12-16(15-6-2-3-9-19(15)25)22(27)20-10-5-11-28-20/h2-12H,13H2,1H3,(H,24,26)
InChIKeyREJAXGJOEZATOR-UHFFFAOYSA-N
XLogP5.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1291142) is N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is REJAXGJOEZATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c1-14-17(23)7-4-8-18(14)24-21(26)13-25-12-16(15-6-2-3-9-19(15)25)22(27)20-10-5-11-28-20/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1291142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).