N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C17H20FN3O3S2 — CID 120883960

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)s1
InChIInChI=1S/C17H20FN3O3S2/c1-26(23,24)20-9-6-12-3-5-15(25-12)17(22)21-14-4-2-11-10-19-8-7-13(11)16(14)18/h2-5,19-20H,6-10H2,1H3,(H,21,22)
InChIKeyRYGGTKCNFPDSLN-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.88
Rot. Bonds6

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 120883960) has the molecular formula C17H20FN3O3S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID120883960
Molecular FormulaC17H20FN3O3S2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)s1
InChIInChI=1S/C17H20FN3O3S2/c1-26(23,24)20-9-6-12-3-5-15(25-12)17(22)21-14-4-2-11-10-19-8-7-13(11)16(14)18/h2-5,19-20H,6-10H2,1H3,(H,21,22)
InChIKeyRYGGTKCNFPDSLN-UHFFFAOYSA-N
XLogP1.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(methylsulfonylmethyl)benzamide
CID 120881504
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 120880970
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methylthiophene-2-carboxamide;hydrochloride
CID 120883819
4-acetyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiophene-2-carboxamide
CID 120884122
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 120881076
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 120883390

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 120883960) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)s1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is RYGGTKCNFPDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S2/c1-26(23,24)20-9-6-12-3-5-15(25-12)17(22)21-14-4-2-11-10-19-8-7-13(11)16(14)18/h2-5,19-20H,6-10H2,1H3,(H,21,22).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 120883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).