2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide

C17H20N4O3S — CID 44560938

IUPAC2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCC1CNCCO1
InChIInChI=1S/C17H20N4O3S/c18-17(23)21-16-13(8-14(25-16)11-4-2-1-3-5-11)15(22)20-10-12-9-19-6-7-24-12/h1-5,8,12,19H,6-7,9-10H2,(H,20,22)(H3,18,21,23)
InChIKeyFOYLAIMTNAGNDH-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.62
Rot. Bonds5

About 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide (PubChem CID 44560938) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide
PubChem CID44560938
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCC1CNCCO1
InChIInChI=1S/C17H20N4O3S/c18-17(23)21-16-13(8-14(25-16)11-4-2-1-3-5-11)15(22)20-10-12-9-19-6-7-24-12/h1-5,8,12,19H,6-7,9-10H2,(H,20,22)(H3,18,21,23)
InChIKeyFOYLAIMTNAGNDH-UHFFFAOYSA-N
XLogP1.62
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
3-(carbamoylamino)-5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 57519527
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide
CID 9968854
1-(3-Carbamoyl-5-(4-(piperidin-1-ylmethyl)phenyl)thiophen-2-yl)urea
CID 10109058
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(piperidine-1-carbonyl)phenyl)thiophen-2-yl)urea
CID 11236402
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophenyl)thiophen-2-yl)urea
CID 11303495
(S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11349000

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide (CID 44560938) is 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCC1CNCCO1.
What is the InChIKey of 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is FOYLAIMTNAGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c18-17(23)21-16-13(8-14(25-16)11-4-2-1-3-5-11)15(22)20-10-12-9-19-6-7-24-12/h1-5,8,12,19H,6-7,9-10H2,(H,20,22)(H3,18,21,23).
What are the key properties of 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(morpholin-2-ylmethyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).