N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide

C21H29N3O3S — CID 24671977

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)20(17-11-8-7-9-12-17)16-22-21(25)18-13-10-14-19(15-18)23-28(26,27)6-3/h7-15,20,23H,4-6,16H2,1-3H3,(H,22,25)
InChIKeyQKNFWLBTDUHKLM-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.26
Rot. Bonds10

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

N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide (PubChem CID 24671977) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
PubChem CID24671977
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccccc1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)20(17-11-8-7-9-12-17)16-22-21(25)18-13-10-14-19(15-18)23-28(26,27)6-3/h7-15,20,23H,4-6,16H2,1-3H3,(H,22,25)
InChIKeyQKNFWLBTDUHKLM-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 51151148
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230301
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 39925941
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 24672518
N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78822026
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide (CID 24671977) is N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide is CCN(CC)C(CNC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide?
The InChIKey is QKNFWLBTDUHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-24(5-2)20(17-11-8-7-9-12-17)16-22-21(25)18-13-10-14-19(15-18)23-28(26,27)6-3/h7-15,20,23H,4-6,16H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide has a molecular weight of 403.55 g/mol, XLogP of 3.26, 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-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 24671977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).