3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide

C14H22N2O3S — CID 173042024

IUPAC3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(CCCNS(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-14(17)13-8-4-6-12(10-13)7-5-9-15-20(3,18)19/h4,6,8,10-11,15H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyKUGHGKAJSPMQKH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.31
Rot. Bonds7

About 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide

3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide (PubChem CID 173042024) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide
PubChem CID173042024
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(CCCNS(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-14(17)13-8-4-6-12(10-13)7-5-9-15-20(3,18)19/h4,6,8,10-11,15H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyKUGHGKAJSPMQKH-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide
CID 59545980
ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide
CID 143975771
N-[1-(3-bromoprop-2-ynylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-(methanesulfonamido)ethyl]benzamide
CID 154704556
3-(7-tert-butylsulfonyl-2-oxoheptyl)-N-propan-2-ylbenzamide
CID 58144582
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
methyl 3-[3-(3-propan-2-yloxyphenyl)propylsulfamoyl]benzoate
CID 100759392
3-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 58145111
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide (CID 173042024) is 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(CCCNS(C)(=O)=O)c1.
What is the InChIKey of 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide?
The InChIKey is KUGHGKAJSPMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)16-14(17)13-8-4-6-12(10-13)7-5-9-15-20(3,18)19/h4,6,8,10-11,15H,5,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide?
3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 173042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).