4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C19H23N3O3S — CID 52505558

IUPAC4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cn1C
InChIInChI=1S/C19H23N3O3S/c1-20-19(23)18-11-15(12-21(18)2)26(24,25)22(14-8-9-14)17-10-7-13-5-3-4-6-16(13)17/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeySUOADIFZPDSVKA-KRWDZBQOSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds5

About 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 52505558) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID52505558
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cn1C
InChIInChI=1S/C19H23N3O3S/c1-20-19(23)18-11-15(12-21(18)2)26(24,25)22(14-8-9-14)17-10-7-13-5-3-4-6-16(13)17/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeySUOADIFZPDSVKA-KRWDZBQOSA-N
XLogP2.23
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 52505558) is 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cn1C.
What is the InChIKey of 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is SUOADIFZPDSVKA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20-19(23)18-11-15(12-21(18)2)26(24,25)22(14-8-9-14)17-10-7-13-5-3-4-6-16(13)17/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 52505558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).