N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H22ClN3O3S — CID 55666154

IUPACN-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-11(2)9-15(18(25)21-3)23-17(24)12-6-7-13(20)14(10-12)22-19(26)16-5-4-8-27-16/h4-8,10-11,15H,9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyMJUCOLIADBXEAN-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.54
Rot. Bonds7

About N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55666154) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55666154
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-11(2)9-15(18(25)21-3)23-17(24)12-6-7-13(20)14(10-12)22-19(26)16-5-4-8-27-16/h4-8,10-11,15H,9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyMJUCOLIADBXEAN-UHFFFAOYSA-N
XLogP3.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43005371
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N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
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3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55579282
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55666154) is N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MJUCOLIADBXEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-11(2)9-15(18(25)21-3)23-17(24)12-6-7-13(20)14(10-12)22-19(26)16-5-4-8-27-16/h4-8,10-11,15H,9H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55666154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).