N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide

C15H19N3O3S — CID 86947038

IUPACN-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)N(C)CCNS(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-11-13(10-12-6-4-5-7-14(12)17-11)15(19)18(2)9-8-16-22(3,20)21/h4-7,10,16H,8-9H2,1-3H3
InChIKeyBFJQPGUZGSOOOE-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide

N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide (PubChem CID 86947038) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide
PubChem CID86947038
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)N(C)CCNS(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-11-13(10-12-6-4-5-7-14(12)17-11)15(19)18(2)9-8-16-22(3,20)21/h4-7,10,16H,8-9H2,1-3H3
InChIKeyBFJQPGUZGSOOOE-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-N-methylisoquinoline-4-carboxamide
CID 86947050
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 75463884
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083556
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 110489587
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
N,N,3-trimethylquinoline-2-carboxamide
CID 15501219
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
1-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea
CID 134284821
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide (CID 86947038) is N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)N(C)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is BFJQPGUZGSOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-13(10-12-6-4-5-7-14(12)17-11)15(19)18(2)9-8-16-22(3,20)21/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide?
N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 86947038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).