N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride

C18H27ClN4O3S — CID 120884463

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C18H26N4O3S.ClH/c1-14(2)21-26(24,25)16-12-17(20-13-16)18(23)22(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-14,20-21H,8-11,19H2,1-2H3;1H
InChIKeyYTQGOLGWJDPCFR-UHFFFAOYSA-N
MW414.96 g/mol
LogP1.77
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120884463) has the molecular formula C18H27ClN4O3S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120884463
Molecular FormulaC18H27ClN4O3S
Molecular Weight414.96 g/mol
Exact Mass414.15
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C18H26N4O3S.ClH/c1-14(2)21-26(24,25)16-12-17(20-13-16)18(23)22(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-14,20-21H,8-11,19H2,1-2H3;1H
InChIKeyYTQGOLGWJDPCFR-UHFFFAOYSA-N
XLogP1.77
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
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N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
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3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride (CID 120884463) is N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride is CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is YTQGOLGWJDPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.ClH/c1-14(2)21-26(24,25)16-12-17(20-13-16)18(23)22(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-14,20-21H,8-11,19H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 414.96 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120884463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).