butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate

C20H29N5O5S — CID 69446621

IUPACbutyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
SMILESCCCCOC(=O)NC(CCCCNS(N)(=O)=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H29N5O5S/c1-2-3-14-30-20(27)25-17(10-4-5-13-23-31(21,28)29)19(26)24-16-11-6-8-15-9-7-12-22-18(15)16/h6-9,11-12,17,23H,2-5,10,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,28,29)
InChIKeyYWEVFQXTRLPPHW-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.03
Rot. Bonds12

About butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate

butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate (PubChem CID 69446621) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
PubChem CID69446621
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC Namebutyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
SMILESCCCCOC(=O)NC(CCCCNS(N)(=O)=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H29N5O5S/c1-2-3-14-30-20(27)25-17(10-4-5-13-23-31(21,28)29)19(26)24-16-11-6-8-15-9-7-12-22-18(15)16/h6-9,11-12,17,23H,2-5,10,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,28,29)
InChIKeyYWEVFQXTRLPPHW-UHFFFAOYSA-N
XLogP2.03
TPSA152.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate with MolForge

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Related Compounds

N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
CID 59028912
N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
CID 69451737
benzyl N-[1-[(6-methoxyquinolin-8-yl)amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 74430725
tert-butyl N-[[(5S)-5-[(4-fluorophenyl)methoxycarbonylamino]-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 71148114
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
tert-butyl N-[[(5S)-5-(benzylcarbamoylamino)-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 69407277
benzyl N-[(2S)-1-oxo-6-[(2-phenylmethoxyacetyl)amino]-1-(quinolin-8-ylamino)hexan-2-yl]carbamate
CID 11953063
8-[[(2S)-2-[(4-fluorophenyl)methoxycarbonylamino]-6-(sulfinoamino)hexanoyl]amino]quinoline
CID 71148112
butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride
CID 142644170
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
tert-butyl N-[[5-[(3,4-dimethoxyphenyl)sulfonylamino]-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 59028858

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate?
The IUPAC name of butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate (CID 69446621) is butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate.
What is the SMILES notation for butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate?
The canonical SMILES for butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate is CCCCOC(=O)NC(CCCCNS(N)(=O)=O)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate?
The InChIKey is YWEVFQXTRLPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-2-3-14-30-20(27)25-17(10-4-5-13-23-31(21,28)29)19(26)24-16-11-6-8-15-9-7-12-22-18(15)16/h6-9,11-12,17,23H,2-5,10,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,28,29).
What are the key properties of butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate?
butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate has a molecular weight of 451.55 g/mol, XLogP of 2.03, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate is sourced from PubChem (CID 69446621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).