2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide

C18H18N4O3S2 — CID 55977225

IUPAC2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O3S2/c1-11-8-13-9-12(5-6-15(13)22(11)27(2,24)25)18(23)19-17-10-14(20-21-17)16-4-3-7-26-16/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21,23)
InChIKeyITHYBXMZHZIDLR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 55977225) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID55977225
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O3S2/c1-11-8-13-9-12(5-6-15(13)22(11)27(2,24)25)18(23)19-17-10-14(20-21-17)16-4-3-7-26-16/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21,23)
InChIKeyITHYBXMZHZIDLR-UHFFFAOYSA-N
XLogP3.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 27754729
(2R)-2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 28539705
2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 42893734
2-methyl-1-methylsulfonyl-N-pyridin-3-yl-2,3-dihydroindole-5-carboxamide
CID 51221434
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719477
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27649592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide (CID 55977225) is 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is ITHYBXMZHZIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-11-8-13-9-12(5-6-15(13)22(11)27(2,24)25)18(23)19-17-10-14(20-21-17)16-4-3-7-26-16/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).