2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide

C17H15Cl2N3O4S2 — CID 112839216

IUPAC2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H15Cl2N3O4S2/c1-9(23)21-13(6-10-8-20-12-5-3-2-4-11(10)12)17(24)22-28(25,26)14-7-15(18)27-16(14)19/h2-5,7-8,13,20H,6H2,1H3,(H,21,23)(H,22,24)
InChIKeyMJWVCPIRQLOQNB-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.09
Rot. Bonds6

About 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide

2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide (PubChem CID 112839216) has the molecular formula C17H15Cl2N3O4S2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
PubChem CID112839216
Molecular FormulaC17H15Cl2N3O4S2
Molecular Weight460.36 g/mol
Exact Mass458.99
IUPAC Name2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H15Cl2N3O4S2/c1-9(23)21-13(6-10-8-20-12-5-3-2-4-11(10)12)17(24)22-28(25,26)14-7-15(18)27-16(14)19/h2-5,7-8,13,20H,6H2,1H3,(H,21,23)(H,22,24)
InChIKeyMJWVCPIRQLOQNB-UHFFFAOYSA-N
XLogP3.09
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
CID 167936324
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
CID 99794385

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide (CID 112839216) is 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is MJWVCPIRQLOQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S2/c1-9(23)21-13(6-10-8-20-12-5-3-2-4-11(10)12)17(24)22-28(25,26)14-7-15(18)27-16(14)19/h2-5,7-8,13,20H,6H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 460.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 112839216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).