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

C20H25N3O3S — CID 22519152

IUPACN-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-22-14-17(13-19(22)20(24)21-16-8-3-2-4-9-16)27(25,26)23-12-11-15-7-5-6-10-18(15)23/h5-7,10,13-14,16H,2-4,8-9,11-12H2,1H3,(H,21,24)
InChIKeyTVRZDFXLAAOKCT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.84
Rot. Bonds4

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

N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (PubChem CID 22519152) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
PubChem CID22519152
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-22-14-17(13-19(22)20(24)21-16-8-3-2-4-9-16)27(25,26)23-12-11-15-7-5-6-10-18(15)23/h5-7,10,13-14,16H,2-4,8-9,11-12H2,1H3,(H,21,24)
InChIKeyTVRZDFXLAAOKCT-UHFFFAOYSA-N
XLogP2.84
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (CID 22519152) is N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is TVRZDFXLAAOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22-14-17(13-19(22)20(24)21-16-8-3-2-4-9-16)27(25,26)23-12-11-15-7-5-6-10-18(15)23/h5-7,10,13-14,16H,2-4,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).