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

C16H17N3O2S2 — CID 718042

IUPACN-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O2S2/c20-15(14-2-1-11-23-14)18-16(22)17-12-3-5-13(6-4-12)19-7-9-21-10-8-19/h1-6,11H,7-10H2,(H2,17,18,20,22)
InChIKeyBIAWGGYDQRXTRP-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.71
Rot. Bonds3

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

N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 718042) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID718042
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O2S2/c20-15(14-2-1-11-23-14)18-16(22)17-12-3-5-13(6-4-12)19-7-9-21-10-8-19/h1-6,11H,7-10H2,(H2,17,18,20,22)
InChIKeyBIAWGGYDQRXTRP-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
1-Phenyl-3-(thiophene-2-carbonyl)-thiourea
CID 817333
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 817337
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 892549
N-{[4-(piperidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
CID 716779
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 729935
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
N-(3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 847853
N-[[3-(butanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 880809
N-({[2-(1-piperidinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 889832
N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 1048127

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 718042) is N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is BIAWGGYDQRXTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c20-15(14-2-1-11-23-14)18-16(22)17-12-3-5-13(6-4-12)19-7-9-21-10-8-19/h1-6,11H,7-10H2,(H2,17,18,20,22).
What are the key properties of N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 718042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).