benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate

C22H26N2O4S — CID 124645577

IUPACbenzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
SMILESO=C(N[C@H](CSc1ccccc1)CC(=O)N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C22H26N2O4S/c25-21(24-11-13-27-14-12-24)15-19(17-29-20-9-5-2-6-10-20)23-22(26)28-16-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,23,26)/t19-/m0/s1
InChIKeyRHPYQTFRGJXXJX-IBGZPJMESA-N
MW414.53 g/mol
LogP3.32
Rot. Bonds8

About benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate

benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate (PubChem CID 124645577) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
PubChem CID124645577
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Namebenzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
SMILESO=C(N[C@H](CSc1ccccc1)CC(=O)N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C22H26N2O4S/c25-21(24-11-13-27-14-12-24)15-19(17-29-20-9-5-2-6-10-20)23-22(26)28-16-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,23,26)/t19-/m0/s1
InChIKeyRHPYQTFRGJXXJX-IBGZPJMESA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 59324457
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate
CID 168919986
benzyl N-[(2S)-3-hydroxy-1,4-bis(phenylsulfanyl)butan-2-yl]carbamate
CID 57193424
butyl N-[(2R)-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
CID 130244110
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[(3S)-3,4-dihydroxy-1-phenylsulfanylbutan-2-yl]carbamate
CID 58800085
ethyl 2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoate
CID 57360885
benzyl N-[(2R,3R)-3-hydroxy-1-phenylsulfanyl-4-trimethylsilylbutan-2-yl]carbamate
CID 125377098
[(3R)-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbutyl] 4-nitrobenzoate
CID 142823799
1-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-3-(propan-2-ylamino)butan-1-one
CID 21025508

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate (CID 124645577) is benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate is O=C(N[C@H](CSc1ccccc1)CC(=O)N1CCOCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The InChIKey is RHPYQTFRGJXXJX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(24-11-13-27-14-12-24)15-19(17-29-20-9-5-2-6-10-20)23-22(26)28-16-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,23,26)/t19-/m0/s1.
What are the key properties of benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate has a molecular weight of 414.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate is sourced from PubChem (CID 124645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).