N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide

C19H28N4OS2 — CID 109512649

IUPACN-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide
SMILESCCNC(=NCCCNC(=O)C1=CC=CS1)NC(C)CC2=CC=C(S2)C
InChIInChI=1S/C19H28N4OS2/c1-4-20-19(23-14(2)13-16-9-8-15(3)26-16)22-11-6-10-21-18(24)17-7-5-12-25-17/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyXYAWJCNHSDPLBL-UHFFFAOYSA-N
MW392.60 g/mol
LogP3.70
Rot. Bonds11

About N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide

N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide (PubChem CID 109512649) has the molecular formula C19H28N4OS2 and a molecular weight of 392.60 g/mol. Its IUPAC name is N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide
PubChem CID109512649
Molecular FormulaC19H28N4OS2
Molecular Weight392.60 g/mol
Exact Mass392.17
IUPAC NameN-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide
SMILESCCNC(=NCCCNC(=O)C1=CC=CS1)NC(C)CC2=CC=C(S2)C
InChIInChI=1S/C19H28N4OS2/c1-4-20-19(23-14(2)13-16-9-8-15(3)26-16)22-11-6-10-21-18(24)17-7-5-12-25-17/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyXYAWJCNHSDPLBL-UHFFFAOYSA-N
XLogP3.70
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity461

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 53.70
H-Bond Donors ≤ 53
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-(1-(Thiophen-2-yl)propan-2-yl)thiophene-2-carboxamide
CID 5105834
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-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-(2-(thiophen-2-yl)ethyl)propanamide
CID 49662590
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109378240
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]thiophene-2-carboxamide
CID 109378241
N-[3-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109379135
N-[3-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]propyl]thiophene-2-carboxamide
CID 109379136
N-[3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109471820
N-[3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 109471821
N-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109473956
N-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 109473957

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide (CID 109512649) is N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide is CCNC(=NCCCNC(=O)C1=CC=CS1)NC(C)CC2=CC=C(S2)C.
What is the InChIKey of N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide?
The InChIKey is XYAWJCNHSDPLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS2/c1-4-20-19(23-14(2)13-16-9-8-15(3)26-16)22-11-6-10-21-18(24)17-7-5-12-25-17/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide?
N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide has a molecular weight of 392.60 g/mol, XLogP of 3.70, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-[1-(5-methylthiophen-2-yl)propan-2-ylamino]methylidene]amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 109512649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).