3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C27H34N4O3S — CID 26234414

IUPAC3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](c1ccccn1)N(C)C(=O)c1cc(NCC[C@H](C)c2ccccc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C27H34N4O3S/c1-20(22-11-7-6-8-12-22)14-16-28-24-17-23(18-25(19-24)35(33,34)30(3)4)27(32)31(5)21(2)26-13-9-10-15-29-26/h6-13,15,17-21,28H,14,16H2,1-5H3/t20-,21+/m0/s1
InChIKeyATQCMIQISPHUPG-LEWJYISDSA-N
MW494.66 g/mol
LogP4.77
Rot. Bonds10

About 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide

3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 26234414) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID26234414
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](c1ccccn1)N(C)C(=O)c1cc(NCC[C@H](C)c2ccccc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C27H34N4O3S/c1-20(22-11-7-6-8-12-22)14-16-28-24-17-23(18-25(19-24)35(33,34)30(3)4)27(32)31(5)21(2)26-13-9-10-15-29-26/h6-13,15,17-21,28H,14,16H2,1-5H3/t20-,21+/m0/s1
InChIKeyATQCMIQISPHUPG-LEWJYISDSA-N
XLogP4.77
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 45159766
3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118759550
4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55767365
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86861276
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 26234414) is 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide is C[C@H](c1ccccn1)N(C)C(=O)c1cc(NCC[C@H](C)c2ccccc2)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is ATQCMIQISPHUPG-LEWJYISDSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-20(22-11-7-6-8-12-22)14-16-28-24-17-23(18-25(19-24)35(33,34)30(3)4)27(32)31(5)21(2)26-13-9-10-15-29-26/h6-13,15,17-21,28H,14,16H2,1-5H3/t20-,21+/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 494.66 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 26234414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).