N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide

C22H27N3O3S — CID 46446856

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N(CC)CC)c1
InChIInChI=1S/C22H27N3O3S/c1-4-15-24-29(27,28)20-14-10-13-19(16-20)22(26)23-17-21(25(5-2)6-3)18-11-8-7-9-12-18/h1,7-14,16,21,24H,5-6,15,17H2,2-3H3,(H,23,26)
InChIKeySUWAQLRRBDDZQL-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.41
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 46446856) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID46446856
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N(CC)CC)c1
InChIInChI=1S/C22H27N3O3S/c1-4-15-24-29(27,28)20-14-10-13-19(16-20)22(26)23-17-21(25(5-2)6-3)18-11-8-7-9-12-18/h1,7-14,16,21,24H,5-6,15,17H2,2-3H3,(H,23,26)
InChIKeySUWAQLRRBDDZQL-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 46446856) is N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N(CC)CC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is SUWAQLRRBDDZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-4-15-24-29(27,28)20-14-10-13-19(16-20)22(26)23-17-21(25(5-2)6-3)18-11-8-7-9-12-18/h1,7-14,16,21,24H,5-6,15,17H2,2-3H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 413.54 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 46446856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).