N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide

C17H29N3O3S — CID 119581442

IUPACN-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-11-20(12-6-2)24(22,23)16-9-7-15(8-10-16)17(21)19(4)14(3)13-18/h7-10,14H,5-6,11-13,18H2,1-4H3
InChIKeyQVNPGCRLVKFIRS-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.92
Rot. Bonds9

About N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide (PubChem CID 119581442) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
PubChem CID119581442
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-11-20(12-6-2)24(22,23)16-9-7-15(8-10-16)17(21)19(4)14(3)13-18/h7-10,14H,5-6,11-13,18H2,1-4H3
InChIKeyQVNPGCRLVKFIRS-UHFFFAOYSA-N
XLogP1.92
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 162401653
N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
CID 119583131
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
N-(1-aminopropan-2-yl)-N-methyl-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119583056
4-(dipropylsulfamoyl)-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 43948656
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide (CID 119581442) is N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide?
The InChIKey is QVNPGCRLVKFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-5-11-20(12-6-2)24(22,23)16-9-7-15(8-10-16)17(21)19(4)14(3)13-18/h7-10,14H,5-6,11-13,18H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide has a molecular weight of 355.50 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 119581442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).