2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide

C15H16Cl2N2OS — CID 27746858

IUPAC2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(11-6-3-2-4-7-11)9-5-8-18-15(20)12-10-13(16)21-14(12)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,20)
InChIKeyKZTJWRTWVCBTDO-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.31
Rot. Bonds6

About 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide

2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide (PubChem CID 27746858) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
PubChem CID27746858
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(11-6-3-2-4-7-11)9-5-8-18-15(20)12-10-13(16)21-14(12)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,20)
InChIKeyKZTJWRTWVCBTDO-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide (CID 27746858) is 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide is CN(CCCNC(=O)c1cc(Cl)sc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide?
The InChIKey is KZTJWRTWVCBTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-19(11-6-3-2-4-7-11)9-5-8-18-15(20)12-10-13(16)21-14(12)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,20).
What are the key properties of 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide?
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide has a molecular weight of 343.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 27746858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).