3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide

C14H21N3O4S — CID 119502368

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O4S/c1-15-7-8-16-14(18)10-3-6-12(21-2)13(9-10)22(19,20)17-11-4-5-11/h3,6,9,11,15,17H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyZODDGHXINVEKRF-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.09
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119502368) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
PubChem CID119502368
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O4S/c1-15-7-8-16-14(18)10-3-6-12(21-2)13(9-10)22(19,20)17-11-4-5-11/h3,6,9,11,15,17H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyZODDGHXINVEKRF-UHFFFAOYSA-N
XLogP0.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
CID 56558795
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide (CID 119502368) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is ZODDGHXINVEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-15-7-8-16-14(18)10-3-6-12(21-2)13(9-10)22(19,20)17-11-4-5-11/h3,6,9,11,15,17H,4-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119502368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).