2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide

C19H20N4O3S — CID 55551086

IUPAC2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C19H20N4O3S/c1-12(2)18-11-16(15-8-3-4-9-17(15)22-18)19(24)21-13-6-5-7-14(10-13)23-27(20,25)26/h3-12,23H,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyWLLMPJOMNUNXSB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.23
Rot. Bonds5

About 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide

2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 55551086) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
PubChem CID55551086
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C19H20N4O3S/c1-12(2)18-11-16(15-8-3-4-9-17(15)22-18)19(24)21-13-6-5-7-14(10-13)23-27(20,25)26/h3-12,23H,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyWLLMPJOMNUNXSB-UHFFFAOYSA-N
XLogP3.23
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide (CID 55551086) is 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2n1.
What is the InChIKey of 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is WLLMPJOMNUNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12(2)18-11-16(15-8-3-4-9-17(15)22-18)19(24)21-13-6-5-7-14(10-13)23-27(20,25)26/h3-12,23H,1-2H3,(H,21,24)(H2,20,25,26).
What are the key properties of 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide?
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55551086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).