benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate

C21H29N3O5S — CID 69442580

IUPACbenzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate
SMILESCOc1ccc(NS(=O)(=O)CC(N)CCCCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O5S/c1-28-20-12-10-19(11-13-20)24-30(26,27)16-18(22)9-5-6-14-23-21(25)29-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,18,24H,5-6,9,14-16,22H2,1H3,(H,23,25)
InChIKeyMFYLZNREOSZXOJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.86
Rot. Bonds12

About benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate

benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate (PubChem CID 69442580) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate
PubChem CID69442580
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Namebenzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate
SMILESCOc1ccc(NS(=O)(=O)CC(N)CCCCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O5S/c1-28-20-12-10-19(11-13-20)24-30(26,27)16-18(22)9-5-6-14-23-21(25)29-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,18,24H,5-6,9,14-16,22H2,1H3,(H,23,25)
InChIKeyMFYLZNREOSZXOJ-UHFFFAOYSA-N
XLogP2.86
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[(4R)-4-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722076
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023
benzyl N-amino-N-[6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate
CID 22475449
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate?
The IUPAC name of benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate (CID 69442580) is benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate.
What is the SMILES notation for benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate?
The canonical SMILES for benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate is COc1ccc(NS(=O)(=O)CC(N)CCCCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate?
The InChIKey is MFYLZNREOSZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-28-20-12-10-19(11-13-20)24-30(26,27)16-18(22)9-5-6-14-23-21(25)29-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,18,24H,5-6,9,14-16,22H2,1H3,(H,23,25).
What are the key properties of benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate?
benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate has a molecular weight of 435.55 g/mol, XLogP of 2.86, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-amino-6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate is sourced from PubChem (CID 69442580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).