ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate

C19H27N3O4S — CID 46457653

IUPACethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(=O)(=O)c1cccc2cc(C)cnc12)CC(C)C
InChIInChI=1S/C19H27N3O4S/c1-5-26-19(23)22-16(9-13(2)3)12-21-27(24,25)17-8-6-7-15-10-14(4)11-20-18(15)17/h6-8,10-11,13,16,21H,5,9,12H2,1-4H3,(H,22,23)
InChIKeyUFPZAWOZKYKAKU-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.98
Rot. Bonds8

About ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate (PubChem CID 46457653) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
PubChem CID46457653
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Nameethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(=O)(=O)c1cccc2cc(C)cnc12)CC(C)C
InChIInChI=1S/C19H27N3O4S/c1-5-26-19(23)22-16(9-13(2)3)12-21-27(24,25)17-8-6-7-15-10-14(4)11-20-18(15)17/h6-8,10-11,13,16,21H,5,9,12H2,1-4H3,(H,22,23)
InChIKeyUFPZAWOZKYKAKU-UHFFFAOYSA-N
XLogP2.98
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate with MolForge

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Related Compounds

4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
CID 132972500
3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 126770392
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate
CID 138050158
ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
CID 42960435

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate (CID 46457653) is ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate is CCOC(=O)NC(CNS(=O)(=O)c1cccc2cc(C)cnc12)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate?
The InChIKey is UFPZAWOZKYKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-5-26-19(23)22-16(9-13(2)3)12-21-27(24,25)17-8-6-7-15-10-14(4)11-20-18(15)17/h6-8,10-11,13,16,21H,5,9,12H2,1-4H3,(H,22,23).
What are the key properties of ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate has a molecular weight of 393.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 46457653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).