4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide

C19H25N3O3S — CID 22519193

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C19H25N3O3S/c1-14(2)8-10-20-19(23)18-12-16(13-21(18)3)26(24,25)22-11-9-15-6-4-5-7-17(15)22/h4-7,12-14H,8-11H2,1-3H3,(H,20,23)
InChIKeyKKNNIBNHCKLDDY-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.55
Rot. Bonds6

About 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide (PubChem CID 22519193) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide
PubChem CID22519193
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C19H25N3O3S/c1-14(2)8-10-20-19(23)18-12-16(13-21(18)3)26(24,25)22-11-9-15-6-4-5-7-17(15)22/h4-7,12-14H,8-11H2,1-3H3,(H,20,23)
InChIKeyKKNNIBNHCKLDDY-UHFFFAOYSA-N
XLogP2.55
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide (CID 22519193) is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide is CC(C)CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide?
The InChIKey is KKNNIBNHCKLDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)8-10-20-19(23)18-12-16(13-21(18)3)26(24,25)22-11-9-15-6-4-5-7-17(15)22/h4-7,12-14H,8-11H2,1-3H3,(H,20,23).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 22519193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).