N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C20H24N2O3S — CID 167914289

IUPACN-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(CS(=O)(=O)c1ccccc1)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C20H24N2O3S/c1-2-15(14-26(24,25)16-8-4-3-5-9-16)22-20(23)18-10-6-12-19-17(18)11-7-13-21-19/h3-6,8-10,12,15,21H,2,7,11,13-14H2,1H3,(H,22,23)
InChIKeyRBDIVFSWBKVYOM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 167914289) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID167914289
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(CS(=O)(=O)c1ccccc1)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C20H24N2O3S/c1-2-15(14-26(24,25)16-8-4-3-5-9-16)22-20(23)18-10-6-12-19-17(18)11-7-13-21-19/h3-6,8-10,12,15,21H,2,7,11,13-14H2,1H3,(H,22,23)
InChIKeyRBDIVFSWBKVYOM-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
CID 103869747
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 167914289) is N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCC(CS(=O)(=O)c1ccccc1)NC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is RBDIVFSWBKVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-15(14-26(24,25)16-8-4-3-5-9-16)22-20(23)18-10-6-12-19-17(18)11-7-13-21-19/h3-6,8-10,12,15,21H,2,7,11,13-14H2,1H3,(H,22,23).
What are the key properties of N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 167914289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).