N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide

C17H24N4OS2 — CID 109548864

IUPACN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
SMILESCN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2
InChIInChI=1S/C17H24N4OS2/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyLUGHZNXAKZCNJQ-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.70
Rot. Bonds10

About N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide

N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide (PubChem CID 109548864) has the molecular formula C17H24N4OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
PubChem CID109548864
Molecular FormulaC17H24N4OS2
Molecular Weight364.50 g/mol
Exact Mass364.14
IUPAC NameN-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
SMILESCN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2
InChIInChI=1S/C17H24N4OS2/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyLUGHZNXAKZCNJQ-UHFFFAOYSA-N
XLogP2.70
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity419

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062
5-methyl-N-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145954988
N-{6-[(thien-2-ylcarbonyl)amino]hexyl}thiophene-2-carboxamide
CID 3094072
3-[2-(diethylamino)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]propanamide
CID 46397325
5-methyl-N-{(2Z)-3-[(5-methylthiophen-2-yl)carbonyl]-1,3-thiazolidin-2-ylidene}thiophene-2-carboxamide
CID 1226377
N-[3-(dimethylamino)propyl]thiophene-2-carboxamide
CID 4354814
N-[3-(diethylamino)propyl]thiophene-2-carboxamide
CID 3428300
4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166184745
N,N'-bis((thiophene-2-carboxamido)propyl)piperazine
CID 2933855

Frequently Asked Questions

What is the IUPAC name of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide (CID 109548864) is N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide is CN=C(NCCCNC(=O)C1=CC=CS1)N(C)CCC2=CC=CS2.
What is the InChIKey of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide?
The InChIKey is LUGHZNXAKZCNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-18-17(21(2)11-8-14-6-3-12-23-14)20-10-5-9-19-16(22)15-7-4-13-24-15/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide?
N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[N,N'-dimethyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 109548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).