[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate

C19H28N2O5S — CID 8880051

IUPAC[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H28N2O5S/c1-15(19(23)21-16-9-5-2-3-6-10-16)26-18(22)13-14-20-27(24,25)17-11-7-4-8-12-17/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNLGJGASRNUTHEG-OAHLLOKOSA-N
MW396.51 g/mol
LogP2.13
Rot. Bonds8

About [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate (PubChem CID 8880051) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
PubChem CID8880051
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H28N2O5S/c1-15(19(23)21-16-9-5-2-3-6-10-16)26-18(22)13-14-20-27(24,25)17-11-7-4-8-12-17/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNLGJGASRNUTHEG-OAHLLOKOSA-N
XLogP2.13
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate with MolForge

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 42969359
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738907
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414454
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906445
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 7909270
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679422
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 8880063
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7247776
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate?
The IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate (CID 8880051) is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate?
The canonical SMILES for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate is C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate?
The InChIKey is NLGJGASRNUTHEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-15(19(23)21-16-9-5-2-3-6-10-16)26-18(22)13-14-20-27(24,25)17-11-7-4-8-12-17/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate?
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate has a molecular weight of 396.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 8880051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).