benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate

C16H23N5O5S — CID 59028888

IUPACbenzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate
SMILESCc1noc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C16H23N5O5S/c1-12-19-15(26-21-12)14(9-5-6-10-18-27(17,23)24)20-16(22)25-11-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,20,22)(H2,17,23,24)/t14-/m0/s1
InChIKeyYDQLOXHKVSWWDY-AWEZNQCLSA-N
MW397.46 g/mol
LogP1.31
Rot. Bonds10

About benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate

benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate (PubChem CID 59028888) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate
PubChem CID59028888
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC Namebenzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate
SMILESCc1noc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C16H23N5O5S/c1-12-19-15(26-21-12)14(9-5-6-10-18-27(17,23)24)20-16(22)25-11-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,20,22)(H2,17,23,24)/t14-/m0/s1
InChIKeyYDQLOXHKVSWWDY-AWEZNQCLSA-N
XLogP1.31
TPSA149.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1S)-1-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]-5-(sulfamoylamino)pentyl]carbamate
CID 71148025
benzyl N-[(1S)-1-benzo[e][1,3]benzoxazol-2-yl-5-(sulfamoylamino)pentyl]carbamate
CID 143593021
benzyl N-[1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-5-(sulfamoylamino)pentyl]carbamate
CID 74432826
benzyl N-[(1S)-1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)-5-(sulfamoylamino)pentyl]carbamate
CID 25217398
benzyl N-[(1S)-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5-(sulfamoylamino)pentyl]carbamate
CID 25217286
benzyl N-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-5-(sulfamoylamino)pentyl]carbamate
CID 25217285
benzyl N-[1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-5-(sulfamoylamino)pentyl]carbamate
CID 74432825
benzyl N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 59028941
ethyl 2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]-1,3-thiazole-4-carboxylate
CID 44572405
benzyl N-[(1S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]carbamate
CID 69414207
benzyl N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 143593118
benzyl N-[1-[(6-methoxyquinolin-8-yl)amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 74430725

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate (CID 59028888) is benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate is Cc1noc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate?
The InChIKey is YDQLOXHKVSWWDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O5S/c1-12-19-15(26-21-12)14(9-5-6-10-18-27(17,23)24)20-16(22)25-11-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,20,22)(H2,17,23,24)/t14-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate?
benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate has a molecular weight of 397.46 g/mol, XLogP of 1.31, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(sulfamoylamino)pentyl]carbamate is sourced from PubChem (CID 59028888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).