N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide

C15H12Cl2N2OS — CID 103404204

IUPACN-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(Cl)c(C#CCN)c2)c1Cl
InChIInChI=1S/C15H12Cl2N2OS/c1-9-8-21-14(13(9)17)15(20)19-11-4-5-12(16)10(7-11)3-2-6-18/h4-5,7-8H,6,18H2,1H3,(H,19,20)
InChIKeyWTPJZWNLUMVEEW-UHFFFAOYSA-N
MW339.25 g/mol
LogP3.93
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103404204) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103404204
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(Cl)c(C#CCN)c2)c1Cl
InChIInChI=1S/C15H12Cl2N2OS/c1-9-8-21-14(13(9)17)15(20)19-11-4-5-12(16)10(7-11)3-2-6-18/h4-5,7-8H,6,18H2,1H3,(H,19,20)
InChIKeyWTPJZWNLUMVEEW-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404208
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 107578779
3-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404140
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404165
3-chloro-N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404126
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]heptanamide
CID 114753355
N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406160
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide (CID 103404204) is N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(Cl)c(C#CCN)c2)c1Cl.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is WTPJZWNLUMVEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-9-8-21-14(13(9)17)15(20)19-11-4-5-12(16)10(7-11)3-2-6-18/h4-5,7-8H,6,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 339.25 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103404204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).