4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide

C17H20N2O3S2 — CID 6503799

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C17H20N2O3S2/c1-2-9-18-17(20)16-11-14(12-23-16)24(21,22)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,20)
InChIKeyYCQSRFJYPKOINL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.03
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide (PubChem CID 6503799) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
PubChem CID6503799
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C17H20N2O3S2/c1-2-9-18-17(20)16-11-14(12-23-16)24(21,22)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,20)
InChIKeyYCQSRFJYPKOINL-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 167956524
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
CID 55599190
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731232

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide (CID 6503799) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide?
The InChIKey is YCQSRFJYPKOINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-9-18-17(20)16-11-14(12-23-16)24(21,22)19-10-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,20).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 6503799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).