2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide

C22H28N4O3S — CID 56538343

IUPAC2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1
InChIInChI=1S/C22H28N4O3S/c1-3-26(4-2)21(17-10-6-5-7-11-17)22(27)24-18-12-8-13-19(16-18)30(28,29)25-20-14-9-15-23-20/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyKPTMWBCYYYQMAB-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.18
Rot. Bonds8

About 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide

2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide (PubChem CID 56538343) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
PubChem CID56538343
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1
InChIInChI=1S/C22H28N4O3S/c1-3-26(4-2)21(17-10-6-5-7-11-17)22(27)24-18-12-8-13-19(16-18)30(28,29)25-20-14-9-15-23-20/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyKPTMWBCYYYQMAB-UHFFFAOYSA-N
XLogP3.18
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55333329
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
1-benzyl-5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 26249061
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119676774
(2R)-2-acetamido-3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 9477293
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
CID 41133349

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide (CID 56538343) is 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide?
The InChIKey is KPTMWBCYYYQMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-3-26(4-2)21(17-10-6-5-7-11-17)22(27)24-18-12-8-13-19(16-18)30(28,29)25-20-14-9-15-23-20/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide?
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide has a molecular weight of 428.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 56538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).