N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide

C21H29N3O3S — CID 78822026

IUPACN-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)19(17-10-8-7-9-11-17)14-23-21(25)18-12-15(3)16(4)20(13-18)28(22,26)27/h7-13,19H,5-6,14H2,1-4H3,(H,23,25)(H2,22,26,27)
InChIKeyOPINTEYMCGBBKR-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.76
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide

N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 78822026) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID78822026
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)19(17-10-8-7-9-11-17)14-23-21(25)18-12-15(3)16(4)20(13-18)28(22,26)27/h7-13,19H,5-6,14H2,1-4H3,(H,23,25)(H2,22,26,27)
InChIKeyOPINTEYMCGBBKR-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
CID 18167201
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide (CID 78822026) is N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide is CCN(CC)C(CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is OPINTEYMCGBBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-24(6-2)19(17-10-8-7-9-11-17)14-23-21(25)18-12-15(3)16(4)20(13-18)28(22,26)27/h7-13,19H,5-6,14H2,1-4H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide?
N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 403.55 g/mol, XLogP of 2.76, 8 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]-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 78822026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).