2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide

C16H24N2O3S — CID 110609594

IUPAC2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)C(C)C2CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18(3)11-10-17-16(19)13(2)14-6-7-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyRZANPDBKJLPSHL-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.78
Rot. Bonds7

About 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide

2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 110609594) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID110609594
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)C(C)C2CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18(3)11-10-17-16(19)13(2)14-6-7-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyRZANPDBKJLPSHL-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 51438927
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-cyclopentyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132617520
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 40647565
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110609610
3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 110416909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide (CID 110609594) is 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)N(C)CCNC(=O)C(C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is RZANPDBKJLPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18(3)11-10-17-16(19)13(2)14-6-7-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide?
2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 110609594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).