N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide

C21H29N3O4S — CID 39925941

IUPACN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)c1
InChIInChI=1S/C21H29N3O4S/c1-5-13-29(26,27)23-17-10-8-9-16(14-17)21(25)22-15-19(24(2)3)18-11-6-7-12-20(18)28-4/h6-12,14,19,23H,5,13,15H2,1-4H3,(H,22,25)/t19-/m1/s1
InChIKeyILLGYTDKQPPWBL-LJQANCHMSA-N
MW419.55 g/mol
LogP2.88
Rot. Bonds10

About N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide (PubChem CID 39925941) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
PubChem CID39925941
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)c1
InChIInChI=1S/C21H29N3O4S/c1-5-13-29(26,27)23-17-10-8-9-16(14-17)21(25)22-15-19(24(2)3)18-11-6-7-12-20(18)28-4/h6-12,14,19,23H,5,13,15H2,1-4H3,(H,22,25)/t19-/m1/s1
InChIKeyILLGYTDKQPPWBL-LJQANCHMSA-N
XLogP2.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391278
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87002114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide (CID 39925941) is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is ILLGYTDKQPPWBL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-5-13-29(26,27)23-17-10-8-9-16(14-17)21(25)22-15-19(24(2)3)18-11-6-7-12-20(18)28-4/h6-12,14,19,23H,5,13,15H2,1-4H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 419.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 39925941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).