6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide

C19H15ClN4O3S — CID 19289184

IUPAC6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N
InChIInChI=1S/C19H15ClN4O3S/c1-9-13(8-21)18(28-15(9)19(26)24(2)3)23-17(25)12-7-10-6-11(20)4-5-14(10)27-16(12)22/h4-7,22H,1-3H3,(H,23,25)/b22-16-
InChIKeyZKWFSMIYSORFRI-JWGURIENSA-N
MW414.87 g/mol
LogP3.76
Rot. Bonds3

About 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide

6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide (PubChem CID 19289184) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
PubChem CID19289184
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N
InChIInChI=1S/C19H15ClN4O3S/c1-9-13(8-21)18(28-15(9)19(26)24(2)3)23-17(25)12-7-10-6-11(20)4-5-14(10)27-16(12)22/h4-7,22H,1-3H3,(H,23,25)/b22-16-
InChIKeyZKWFSMIYSORFRI-JWGURIENSA-N
XLogP3.76
TPSA110.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-3-iminobenzo[f]chromene-2-carboxamide
CID 17379748
N-[3-cyano-5-(ethylcarbamoyl)-4-methylthiophen-2-yl]-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 19289119
6-bromo-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-iminochromene-3-carboxamide
CID 19289107
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 19572167
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
methyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572092

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide (CID 19289184) is 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N.
What is the InChIKey of 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide?
The InChIKey is ZKWFSMIYSORFRI-JWGURIENSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-9-13(8-21)18(28-15(9)19(26)24(2)3)23-17(25)12-7-10-6-11(20)4-5-14(10)27-16(12)22/h4-7,22H,1-3H3,(H,23,25)/b22-16-.
What are the key properties of 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide?
6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide is sourced from PubChem (CID 19289184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).