2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide

C14H15N3O3S — CID 44560910

IUPAC2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCCO
InChIInChI=1S/C14H15N3O3S/c15-14(20)17-13-10(12(19)16-6-7-18)8-11(21-13)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2,(H,16,19)(H3,15,17,20)
InChIKeyYYKPAYYZCCQSFX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.63
Rot. Bonds5

About 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide (PubChem CID 44560910) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide
PubChem CID44560910
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCCO
InChIInChI=1S/C14H15N3O3S/c15-14(20)17-13-10(12(19)16-6-7-18)8-11(21-13)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2,(H,16,19)(H3,15,17,20)
InChIKeyYYKPAYYZCCQSFX-UHFFFAOYSA-N
XLogP1.63
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide (CID 44560910) is 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NCCO.
What is the InChIKey of 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is YYKPAYYZCCQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14(20)17-13-10(12(19)16-6-7-18)8-11(21-13)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2,(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-hydroxyethyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).