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

C21H25N5O5S — CID 25217056

IUPACbenzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate
SMILESNS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H25N5O5S/c22-32(28,29)23-14-8-7-13-18(24-21(27)30-15-16-9-3-1-4-10-16)20-26-25-19(31-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,27)(H2,22,28,29)/t18-/m0/s1
InChIKeyXPKVJBKTCMZMQX-SFHVURJKSA-N
MW459.53 g/mol
LogP2.67
Rot. Bonds11

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

benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate (PubChem CID 25217056) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate
PubChem CID25217056
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Namebenzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate
SMILESNS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H25N5O5S/c22-32(28,29)23-14-8-7-13-18(24-21(27)30-15-16-9-3-1-4-10-16)20-26-25-19(31-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,27)(H2,22,28,29)/t18-/m0/s1
InChIKeyXPKVJBKTCMZMQX-SFHVURJKSA-N
XLogP2.67
TPSA149.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-3-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 10164962
[(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-propyl ester
CID 10165557
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192128
(1r)-2-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propyl(1S)-1-(oxo{[(1r)-1-phenylethyl]amino}acetyl)pentylcarbamate
CID 10164961
[(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-propyl ester
CID 10230391
[(2R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-2-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 10302710
benzyl N-[(1S)-1-[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 16745956
benzyl N-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 16745957
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2487892
oxalic acid;N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16196763
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 24687363
benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 118722858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate (CID 25217056) is benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate is NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate?
The InChIKey is XPKVJBKTCMZMQX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N5O5S/c22-32(28,29)23-14-8-7-13-18(24-21(27)30-15-16-9-3-1-4-10-16)20-26-25-19(31-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,27)(H2,22,28,29)/t18-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate?
benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate has a molecular weight of 459.53 g/mol, XLogP of 2.67, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(sulfamoylamino)pentyl]carbamate is sourced from PubChem (CID 25217056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).