N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C20H24ClN3O3S — CID 43044364

IUPACN-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC1CN(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC(C)O1
InChIInChI=1S/C20H24ClN3O3S/c1-13-11-24(12-14(2)27-13)8-7-22-19(25)15-5-6-16(21)17(10-15)23-20(26)18-4-3-9-28-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUUQLKZGWUCGQET-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.49
Rot. Bonds6

About N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 43044364) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID43044364
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC1CN(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC(C)O1
InChIInChI=1S/C20H24ClN3O3S/c1-13-11-24(12-14(2)27-13)8-7-22-19(25)15-5-6-16(21)17(10-15)23-20(26)18-4-3-9-28-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUUQLKZGWUCGQET-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
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CID 56558502
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 43044364) is N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC1CN(CCNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC(C)O1.
What is the InChIKey of N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UUQLKZGWUCGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-13-11-24(12-14(2)27-13)8-7-22-19(25)15-5-6-16(21)17(10-15)23-20(26)18-4-3-9-28-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43044364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).