N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide

C19H18ClN3O4S — CID 56558502

IUPACN-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H18ClN3O4S/c20-13-5-4-12(11-14(13)22-19(27)15-3-1-10-28-15)18(26)21-8-2-9-23-16(24)6-7-17(23)25/h1,3-5,10-11H,2,6-9H2,(H,21,26)(H,22,27)
InChIKeyQBEOIDATJFAADP-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.92
Rot. Bonds7

About N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 56558502) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID56558502
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H18ClN3O4S/c20-13-5-4-12(11-14(13)22-19(27)15-3-1-10-28-15)18(26)21-8-2-9-23-16(24)6-7-17(23)25/h1,3-5,10-11H,2,6-9H2,(H,21,26)(H,22,27)
InChIKeyQBEOIDATJFAADP-UHFFFAOYSA-N
XLogP2.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 119447731
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N-[2-chloro-5-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55720301
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CID 46798645
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 55869328
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
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N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 56558502) is N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCCCN1C(=O)CCC1=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QBEOIDATJFAADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c20-13-5-4-12(11-14(13)22-19(27)15-3-1-10-28-15)18(26)21-8-2-9-23-16(24)6-7-17(23)25/h1,3-5,10-11H,2,6-9H2,(H,21,26)(H,22,27).
What are the key properties of N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56558502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).