3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide

C20H34N2O4S — CID 55601920

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C(C)C
InChIInChI=1S/C20H34N2O4S/c1-7-10-11-14-22(16(4)5)20(23)17-12-13-18(26-6)19(15-17)27(24,25)21(8-2)9-3/h12-13,15-16H,7-11,14H2,1-6H3
InChIKeyBXMPCUJKFZEEOJ-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.77
Rot. Bonds11

About 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide

3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 55601920) has the molecular formula C20H34N2O4S and a molecular weight of 398.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
PubChem CID55601920
Molecular FormulaC20H34N2O4S
Molecular Weight398.57 g/mol
Exact Mass398.22
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C(C)C
InChIInChI=1S/C20H34N2O4S/c1-7-10-11-14-22(16(4)5)20(23)17-12-13-18(26-6)19(15-17)27(24,25)21(8-2)9-3/h12-13,15-16H,7-11,14H2,1-6H3
InChIKeyBXMPCUJKFZEEOJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 1322449
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 55742987
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide (CID 55601920) is 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C(C)C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is BXMPCUJKFZEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4S/c1-7-10-11-14-22(16(4)5)20(23)17-12-13-18(26-6)19(15-17)27(24,25)21(8-2)9-3/h12-13,15-16H,7-11,14H2,1-6H3.
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide?
3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 398.57 g/mol, XLogP of 3.77, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55601920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).