N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide

C16H17N3O2S — CID 38019423

IUPACN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-9-17-16(21)19-13-7-5-12(6-8-13)18-15(20)11-14-4-3-10-22-14/h2-8,10H,1,9,11H2,(H,18,20)(H2,17,19,21)
InChIKeyIOISTULTFWCVGA-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide

N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 38019423) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
PubChem CID38019423
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-9-17-16(21)19-13-7-5-12(6-8-13)18-15(20)11-14-4-3-10-22-14/h2-8,10H,1,9,11H2,(H,18,20)(H2,17,19,21)
InChIKeyIOISTULTFWCVGA-UHFFFAOYSA-N
XLogP3.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
CID 112981528
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide (CID 38019423) is N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide is C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is IOISTULTFWCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-9-17-16(21)19-13-7-5-12(6-8-13)18-15(20)11-14-4-3-10-22-14/h2-8,10H,1,9,11H2,(H,18,20)(H2,17,19,21).
What are the key properties of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 38019423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).