N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide

C19H25N3O3S — CID 99949110

IUPACN,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-9-10-20-17(11-14)12-15(2)22(5)26(24,25)18-8-6-7-16(13-18)19(23)21(3)4/h6-11,13,15H,12H2,1-5H3/t15-/m1/s1
InChIKeyAEACERIOXOWABQ-OAHLLOKOSA-N
MW375.49 g/mol
LogP2.34
Rot. Bonds6

About N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide

N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide (PubChem CID 99949110) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide
PubChem CID99949110
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-9-10-20-17(11-14)12-15(2)22(5)26(24,25)18-8-6-7-16(13-18)19(23)21(3)4/h6-11,13,15H,12H2,1-5H3/t15-/m1/s1
InChIKeyAEACERIOXOWABQ-OAHLLOKOSA-N
XLogP2.34
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393
3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118767981
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N,3-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 46997117
N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
CID 87024621
2-[methyl-(3-methylphenyl)sulfonylamino]propanoic acid
CID 62627691
N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447505
N,1-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]indazole-3-carboxamide
CID 46996222

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide (CID 99949110) is N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide is Cc1ccnc(C[C@@H](C)N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide?
The InChIKey is AEACERIOXOWABQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-9-10-20-17(11-14)12-15(2)22(5)26(24,25)18-8-6-7-16(13-18)19(23)21(3)4/h6-11,13,15H,12H2,1-5H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide?
N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 99949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).