N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C15H25N3O4S — CID 126838118

IUPACN-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H25N3O4S/c1-11(17(2)3)10-16-15(19)12-7-8-13(22-6)14(9-12)23(20,21)18(4)5/h7-9,11H,10H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyLIRDIZIXMBTRNQ-NSHDSACASA-N
MW343.45 g/mol
LogP0.63
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 126838118) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID126838118
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H25N3O4S/c1-11(17(2)3)10-16-15(19)12-7-8-13(22-6)14(9-12)23(20,21)18(4)5/h7-9,11H,10H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyLIRDIZIXMBTRNQ-NSHDSACASA-N
XLogP0.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 126838118) is N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is LIRDIZIXMBTRNQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11(17(2)3)10-16-15(19)12-7-8-13(22-6)14(9-12)23(20,21)18(4)5/h7-9,11H,10H2,1-6H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 126838118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).