2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide

C18H24N4O4S2 — CID 19971102

IUPAC2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2ccc[nH]2)ccc1SC
InChIInChI=1S/C18H24N4O4S2/c1-18(2,15-6-5-9-20-15)21-16(23)11-12-7-8-13(27-4)14(10-12)28(25,26)22-17(24)19-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H2,19,22,24)
InChIKeyAZJACZSWCQBAEF-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.95
Rot. Bonds7

About 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide

2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide (PubChem CID 19971102) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
PubChem CID19971102
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC Name2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2ccc[nH]2)ccc1SC
InChIInChI=1S/C18H24N4O4S2/c1-18(2,15-6-5-9-20-15)21-16(23)11-12-7-8-13(27-4)14(10-12)28(25,26)22-17(24)19-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H2,19,22,24)
InChIKeyAZJACZSWCQBAEF-UHFFFAOYSA-N
XLogP1.95
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide (CID 19971102) is 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide is CNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2ccc[nH]2)ccc1SC.
What is the InChIKey of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide?
The InChIKey is AZJACZSWCQBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-18(2,15-6-5-9-20-15)21-16(23)11-12-7-8-13(27-4)14(10-12)28(25,26)22-17(24)19-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H2,19,22,24).
What are the key properties of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide?
2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 19971102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).