N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide

C21H27N3O3S — CID 56581574

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-3-24(4-2)20(16-9-6-5-7-10-16)21(25)22-18-11-8-12-19(15-18)28(26,27)23-17-13-14-17/h5-12,15,17,20,23H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyNIWGNBAIWSBANM-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.15
Rot. Bonds9

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide (PubChem CID 56581574) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
PubChem CID56581574
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-3-24(4-2)20(16-9-6-5-7-10-16)21(25)22-18-11-8-12-19(15-18)28(26,27)23-17-13-14-17/h5-12,15,17,20,23H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyNIWGNBAIWSBANM-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 46532975
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 81486538

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide (CID 56581574) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The InChIKey is NIWGNBAIWSBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-24(4-2)20(16-9-6-5-7-10-16)21(25)22-18-11-8-12-19(15-18)28(26,27)23-17-13-14-17/h5-12,15,17,20,23H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide has a molecular weight of 401.53 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide is sourced from PubChem (CID 56581574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).