2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide

C16H20N4O3S — CID 44560806

IUPAC2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide
SMILESCN(CCO)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C16H20N4O3S/c1-20(6-7-21)9-10-2-4-11(5-3-10)13-8-12(14(17)22)15(24-13)19-16(18)23/h2-5,8,21H,6-7,9H2,1H3,(H2,17,22)(H3,18,19,23)
InChIKeyICZRNYYZRCEUCF-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.43
Rot. Bonds7

About 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide (PubChem CID 44560806) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide
PubChem CID44560806
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide
SMILESCN(CCO)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C16H20N4O3S/c1-20(6-7-21)9-10-2-4-11(5-3-10)13-8-12(14(17)22)15(24-13)19-16(18)23/h2-5,8,21H,6-7,9H2,1H3,(H2,17,22)(H3,18,19,23)
InChIKeyICZRNYYZRCEUCF-UHFFFAOYSA-N
XLogP1.43
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide (CID 44560806) is 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide is CN(CCO)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide?
The InChIKey is ICZRNYYZRCEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-20(6-7-21)9-10-2-4-11(5-3-10)13-8-12(14(17)22)15(24-13)19-16(18)23/h2-5,8,21H,6-7,9H2,1H3,(H2,17,22)(H3,18,19,23).
What are the key properties of 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).