5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C23H18Cl3N3O3S — CID 52919212

IUPAC5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1)c1ccc(Cl)s1
InChIInChI=1S/C23H18Cl3N3O3S/c24-17-5-1-12(11-27-23(32)19-7-8-20(26)33-19)9-15(17)21(30)29-14-4-6-18(25)16(10-14)22(31)28-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,27,32)(H,28,31)(H,29,30)
InChIKeyLPLSBJXOZQPJPH-UHFFFAOYSA-N
MW522.84 g/mol
LogP5.78
Rot. Bonds7

About 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 52919212) has the molecular formula C23H18Cl3N3O3S and a molecular weight of 522.84 g/mol. Its IUPAC name is 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID52919212
Molecular FormulaC23H18Cl3N3O3S
Molecular Weight522.84 g/mol
Exact Mass521.01
IUPAC Name5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1)c1ccc(Cl)s1
InChIInChI=1S/C23H18Cl3N3O3S/c24-17-5-1-12(11-27-23(32)19-7-8-20(26)33-19)9-15(17)21(30)29-14-4-6-18(25)16(10-14)22(31)28-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,27,32)(H,28,31)(H,29,30)
InChIKeyLPLSBJXOZQPJPH-UHFFFAOYSA-N
XLogP5.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.84
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-chloro-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-[[[(2E,4E)-5-chloro-2-methylhexa-2,4-dienoyl]amino]methyl]benzamide
CID 88958744
2-chloro-N-cyclopropyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]benzamide
CID 55836840
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-[3-(cyclohexylcarbamoyl)-4-(2,2-difluoroethoxy)phenyl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 88958695
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
CID 55836455
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 52919212) is 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LPLSBJXOZQPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3S/c24-17-5-1-12(11-27-23(32)19-7-8-20(26)33-19)9-15(17)21(30)29-14-4-6-18(25)16(10-14)22(31)28-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 522.84 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-chloro-3-[[4-chloro-3-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 52919212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).