1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide

C19H25N3O3S — CID 94661473

IUPAC1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C19H25N3O3S/c1-3-10-22(16-9-8-14-6-4-5-7-15(14)11-16)26(24,25)17-12-18(19(20)23)21(2)13-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H2,20,23)/t16-/m1/s1
InChIKeyIGVLTTDXBHXUBK-MRXNPFEDSA-N
MW375.49 g/mol
LogP2.08
Rot. Bonds6

About 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide

1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 94661473) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID94661473
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C19H25N3O3S/c1-3-10-22(16-9-8-14-6-4-5-7-15(14)11-16)26(24,25)17-12-18(19(20)23)21(2)13-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H2,20,23)/t16-/m1/s1
InChIKeyIGVLTTDXBHXUBK-MRXNPFEDSA-N
XLogP2.08
TPSA85.40 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide (CID 94661473) is 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide is CCCN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is IGVLTTDXBHXUBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-10-22(16-9-8-14-6-4-5-7-15(14)11-16)26(24,25)17-12-18(19(20)23)21(2)13-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H2,20,23)/t16-/m1/s1.
What are the key properties of 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide?
1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 94661473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).