2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide

C14H16N4O2S — CID 25006823

IUPAC2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCSc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H16N4O2S/c1-2-21-9-5-3-4-8(6-9)11-7-10(12(15)19)13(17-11)18-14(16)20/h3-7,17H,2H2,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyDWJWCQOQNZVFOK-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.38
Rot. Bonds5

About 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 25006823) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID25006823
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCSc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H16N4O2S/c1-2-21-9-5-3-4-8(6-9)11-7-10(12(15)19)13(17-11)18-14(16)20/h3-7,17H,2H2,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyDWJWCQOQNZVFOK-UHFFFAOYSA-N
XLogP2.38
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide (CID 25006823) is 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide is CCSc1cccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1.
What is the InChIKey of 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is DWJWCQOQNZVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-2-21-9-5-3-4-8(6-9)11-7-10(12(15)19)13(17-11)18-14(16)20/h3-7,17H,2H2,1H3,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(3-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25006823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).