N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide

C12H19N3O3S — CID 143892707

IUPACN-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-11-5-2-10(3-6-11)4-7-12(16)14-9-8-13/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16)
InChIKeyHAZPBVBOSFSNGI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.07
Rot. Bonds7

About N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide

N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide (PubChem CID 143892707) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
PubChem CID143892707
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-11-5-2-10(3-6-11)4-7-12(16)14-9-8-13/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16)
InChIKeyHAZPBVBOSFSNGI-UHFFFAOYSA-N
XLogP0.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 58328858
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
3-(4-tert-butylphenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
CID 87894228
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
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N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
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CID 110664447

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide (CID 143892707) is N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1ccc(CCC(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is HAZPBVBOSFSNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)15-11-5-2-10(3-6-11)4-7-12(16)14-9-8-13/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide?
N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 143892707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).