N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide

C18H16Cl2N4O2S — CID 38996537

IUPACN-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N4O2S/c19-13-3-1-4-14(20)12(13)11-24-16(6-9-22-24)23-17(25)7-8-21-18(26)15-5-2-10-27-15/h1-6,9-10H,7-8,11H2,(H,21,26)(H,23,25)
InChIKeyCVUCCUQQABRVSY-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.06
Rot. Bonds7

About N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 38996537) has the molecular formula C18H16Cl2N4O2S and a molecular weight of 423.33 g/mol. Its IUPAC name is N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID38996537
Molecular FormulaC18H16Cl2N4O2S
Molecular Weight423.33 g/mol
Exact Mass422.04
IUPAC NameN-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N4O2S/c19-13-3-1-4-14(20)12(13)11-24-16(6-9-22-24)23-17(25)7-8-21-18(26)15-5-2-10-27-15/h1-6,9-10H,7-8,11H2,(H,21,26)(H,23,25)
InChIKeyCVUCCUQQABRVSY-UHFFFAOYSA-N
XLogP4.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 38996537) is N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is CVUCCUQQABRVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2S/c19-13-3-1-4-14(20)12(13)11-24-16(6-9-22-24)23-17(25)7-8-21-18(26)15-5-2-10-27-15/h1-6,9-10H,7-8,11H2,(H,21,26)(H,23,25).
What are the key properties of N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 38996537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).