N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide

C18H18N4O3S2 — CID 42768537

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N4O3S2/c1-3-10-22(12-16(23)21-18-20-11-13(2)26-18)27(24,25)15-8-4-6-14-7-5-9-19-17(14)15/h3-9,11H,1,10,12H2,2H3,(H,20,21,23)
InChIKeyRRYGBWLJPQLOTE-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.82
Rot. Bonds7

About N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 42768537) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID42768537
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N4O3S2/c1-3-10-22(12-16(23)21-18-20-11-13(2)26-18)27(24,25)15-8-4-6-14-7-5-9-19-17(14)15/h3-9,11H,1,10,12H2,2H3,(H,20,21,23)
InChIKeyRRYGBWLJPQLOTE-UHFFFAOYSA-N
XLogP2.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 4155792
3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42663901
2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769392
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4666253
2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
CID 79269945
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673164
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 42768537) is N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide is C=CCN(CC(=O)Nc1ncc(C)s1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is RRYGBWLJPQLOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-3-10-22(12-16(23)21-18-20-11-13(2)26-18)27(24,25)15-8-4-6-14-7-5-9-19-17(14)15/h3-9,11H,1,10,12H2,2H3,(H,20,21,23).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 42768537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).