N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide

C18H28N2O4S — CID 31737121

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-20(4-2)25(22,23)17-10-8-16(9-11-17)18(21)19-12-5-13-24-14-15-6-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,21)
InChIKeyBOCDPXGEHHHROC-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.26
Rot. Bonds11

About N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide

N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 31737121) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
PubChem CID31737121
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-20(4-2)25(22,23)17-10-8-16(9-11-17)18(21)19-12-5-13-24-14-15-6-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,21)
InChIKeyBOCDPXGEHHHROC-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 31849879
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
CID 47032630
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide (CID 31737121) is N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is BOCDPXGEHHHROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-20(4-2)25(22,23)17-10-8-16(9-11-17)18(21)19-12-5-13-24-14-15-6-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide?
N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 31737121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).