N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide

C13H13N3O2S — CID 2814305

IUPACN-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)14-10-4-6-11(7-5-10)15-13(18)16-12-3-2-8-19-12/h2-8H,1H3,(H,14,17)(H2,15,16,18)
InChIKeyDORBZVRLXJHORB-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.35
Rot. Bonds3

About N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide

N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 2814305) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID2814305
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)14-10-4-6-11(7-5-10)15-13(18)16-12-3-2-8-19-12/h2-8H,1H3,(H,14,17)(H2,15,16,18)
InChIKeyDORBZVRLXJHORB-UHFFFAOYSA-N
XLogP3.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(4-((Thiophen-2-ylmethyl)amino)phenyl)acetamide
CID 804072
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
1-Phenyl-3-(thiophene-2-carbonyl)-thiourea
CID 817333
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 817337
N-(2-cyanoethyl)-N'-phenyl-N-(2-thienylmethyl)urea
CID 2812721
N-(3-nitrophenyl)-N'-thien-2-ylurea
CID 3538663
N-(4-(((5-methylthiophen-2-yl)methyl)amino)phenyl)acetamide
CID 6492101
N-{4-[(2-thienylmethyl)amino]phenyl}propanamide
CID 6492102
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 892549
N-[[3-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 882702
N-(2-methylphenyl)-N'-thien-2-ylurea
CID 3237082

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide (CID 2814305) is N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2cccs2)cc1.
What is the InChIKey of N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is DORBZVRLXJHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(17)14-10-4-6-11(7-5-10)15-13(18)16-12-3-2-8-19-12/h2-8H,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide?
N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophen-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 2814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).