5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide

C16H19N3O3S2 — CID 60610459

IUPAC5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCNC(=O)c2cccs2)s1
InChIInChI=1S/C16H19N3O3S2/c1-11(20)19-10-12-5-6-14(24-12)16(22)18-8-3-7-17-15(21)13-4-2-9-23-13/h2,4-6,9H,3,7-8,10H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyVMXYXKPFQYJUHK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.00
Rot. Bonds8

About 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide

5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide (PubChem CID 60610459) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
PubChem CID60610459
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCNC(=O)c2cccs2)s1
InChIInChI=1S/C16H19N3O3S2/c1-11(20)19-10-12-5-6-14(24-12)16(22)18-8-3-7-17-15(21)13-4-2-9-23-13/h2,4-6,9H,3,7-8,10H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyVMXYXKPFQYJUHK-UHFFFAOYSA-N
XLogP2.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 91817323
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111257915
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120832947
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
CID 75471381
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide (CID 60610459) is 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)NCCCNC(=O)c2cccs2)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The InChIKey is VMXYXKPFQYJUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11(20)19-10-12-5-6-14(24-12)16(22)18-8-3-7-17-15(21)13-4-2-9-23-13/h2,4-6,9H,3,7-8,10H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 60610459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).