3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

C23H32N2O4S — CID 30402509

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC
InChIInChI=1S/C23H32N2O4S/c1-8-25(9-2)30(27,28)22-14-19(10-11-21(22)29-7)23(26)24-18(6)20-13-16(4)15(3)12-17(20)5/h10-14,18H,8-9H2,1-7H3,(H,24,26)/t18-/m0/s1
InChIKeyNUECVIQWBUZVHJ-SFHVURJKSA-N
MW432.59 g/mol
LogP4.14
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (PubChem CID 30402509) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
PubChem CID30402509
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC
InChIInChI=1S/C23H32N2O4S/c1-8-25(9-2)30(27,28)22-14-19(10-11-21(22)29-7)23(26)24-18(6)20-13-16(4)15(3)12-17(20)5/h10-14,18H,8-9H2,1-7H3,(H,24,26)/t18-/m0/s1
InChIKeyNUECVIQWBUZVHJ-SFHVURJKSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60596662
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
CID 55387829
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402198
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (CID 30402509) is 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The InChIKey is NUECVIQWBUZVHJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-8-25(9-2)30(27,28)22-14-19(10-11-21(22)29-7)23(26)24-18(6)20-13-16(4)15(3)12-17(20)5/h10-14,18H,8-9H2,1-7H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide has a molecular weight of 432.59 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 30402509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).