N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide

C16H16ClN3O2S2 — CID 1254646

IUPACN-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cccs1
InChIInChI=1S/C16H16ClN3O2S2/c17-11-3-1-4-12(14(11)20-6-8-22-9-7-20)18-16(23)19-15(21)13-5-2-10-24-13/h1-5,10H,6-9H2,(H2,18,19,21,23)
InChIKeyIUTIIKZMCJPNSB-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.36
Rot. Bonds3

About N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 1254646) has the molecular formula C16H16ClN3O2S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID1254646
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.91 g/mol
Exact Mass381.04
IUPAC NameN-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cccs1
InChIInChI=1S/C16H16ClN3O2S2/c17-11-3-1-4-12(14(11)20-6-8-22-9-7-20)18-16(23)19-15(21)13-5-2-10-24-13/h1-5,10H,6-9H2,(H2,18,19,21,23)
InChIKeyIUTIIKZMCJPNSB-UHFFFAOYSA-N
XLogP3.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-((4-morpholinophenyl)carbamothioyl)thiophene-2-carboxamide
CID 718042
N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 2894113
N-({[2-(1-piperidinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 889832
N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 1254644
N-({[3-chloro-4-(1-piperidinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 1341238
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-{[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]carbonothioyl}-2-thiophenecarboxamide
CID 2952534
N-[3-chloro-2-(4-morpholinyl)phenyl]-2-thiophenecarboxamide
CID 952677
N-[(2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 898831
N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 1047584
N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 2963772

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 1254646) is N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cccs1.
What is the InChIKey of N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is IUTIIKZMCJPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2/c17-11-3-1-4-12(14(11)20-6-8-22-9-7-20)18-16(23)19-15(21)13-5-2-10-24-13/h1-5,10H,6-9H2,(H2,18,19,21,23).
What are the key properties of N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 1254646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).