2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H15N5O3S2 — CID 20949888

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1nccs1
InChIInChI=1S/C16H15N5O3S2/c22-14(19-16-17-6-8-25-16)9-20-10-15(18-11-20)26(23,24)21-7-5-12-3-1-2-4-13(12)21/h1-4,6,8,10-11H,5,7,9H2,(H,17,19,22)
InChIKeyHGDGXWQMOBRAPT-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.73
Rot. Bonds5

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 20949888) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID20949888
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1nccs1
InChIInChI=1S/C16H15N5O3S2/c22-14(19-16-17-6-8-25-16)9-20-10-15(18-11-20)26(23,24)21-7-5-12-3-1-2-4-13(12)21/h1-4,6,8,10-11H,5,7,9H2,(H,17,19,22)
InChIKeyHGDGXWQMOBRAPT-UHFFFAOYSA-N
XLogP1.73
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949899
N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949910
2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20949736
N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949902
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 2525969
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47144998
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
2-(7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 46367015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 20949888) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1nccs1.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HGDGXWQMOBRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c22-14(19-16-17-6-8-25-16)9-20-10-15(18-11-20)26(23,24)21-7-5-12-3-1-2-4-13(12)21/h1-4,6,8,10-11H,5,7,9H2,(H,17,19,22).
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20949888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).