N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide

C18H23N3O3S — CID 22519145

IUPACN-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)19-17(22)16-11-14(12-20(16)4)25(23,24)21-10-9-13-7-5-6-8-15(13)21/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)
InChIKeyVDORFKZPFMWXQM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.30
Rot. Bonds3

About N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide

N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (PubChem CID 22519145) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
PubChem CID22519145
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)19-17(22)16-11-14(12-20(16)4)25(23,24)21-10-9-13-7-5-6-8-15(13)21/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)
InChIKeyVDORFKZPFMWXQM-UHFFFAOYSA-N
XLogP2.30
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (CID 22519145) is N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VDORFKZPFMWXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2,3)19-17(22)16-11-14(12-20(16)4)25(23,24)21-10-9-13-7-5-6-8-15(13)21/h5-8,11-12H,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).