N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide

C15H13ClN2OS — CID 81279963

IUPACN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Cl)ccc1C#CCN
InChIInChI=1S/C15H13ClN2OS/c1-10-6-8-20-14(10)15(19)18-13-9-12(16)5-4-11(13)3-2-7-17/h4-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyCPZSRZHKZMGRPV-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.27
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide (PubChem CID 81279963) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
PubChem CID81279963
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Cl)ccc1C#CCN
InChIInChI=1S/C15H13ClN2OS/c1-10-6-8-20-14(10)15(19)18-13-9-12(16)5-4-11(13)3-2-7-17/h4-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyCPZSRZHKZMGRPV-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.27
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-methylphenyl]-3-methylthiophene-2-carboxamide
CID 82766055
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404208
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chlorothiophene-2-carboxamide
CID 81270986
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxythiophene-2-carboxamide
CID 81270159
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2,5-dimethylfuran-3-carboxamide
CID 81269162
N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798145
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 81279965
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
CID 81268855
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2-methylsulfanylacetamide
CID 81270273
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 77050479
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3-methylthiophene-2-carboxamide
CID 60803351
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 82767055

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide (CID 81279963) is N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(Cl)ccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is CPZSRZHKZMGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-6-8-20-14(10)15(19)18-13-9-12(16)5-4-11(13)3-2-7-17/h4-6,8-9H,7,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 81279963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).