2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide

C14H15N3O2S2 — CID 134061199

IUPAC2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C14H15N3O2S2/c15-13(18)9-21-12-6-2-1-5-11(12)17-14(19)16-8-10-4-3-7-20-10/h1-7H,8-9H2,(H2,15,18)(H2,16,17,19)
InChIKeyLSSGRTDILQGWIH-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide

2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 134061199) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID134061199
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C14H15N3O2S2/c15-13(18)9-21-12-6-2-1-5-11(12)17-14(19)16-8-10-4-3-7-20-10/h1-7H,8-9H2,(H2,15,18)(H2,16,17,19)
InChIKeyLSSGRTDILQGWIH-UHFFFAOYSA-N
XLogP2.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411743
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055588
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
CID 56826258
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide (CID 134061199) is 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC(=O)NCc1cccs1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is LSSGRTDILQGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c15-13(18)9-21-12-6-2-1-5-11(12)17-14(19)16-8-10-4-3-7-20-10/h1-7H,8-9H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide?
2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 321.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 134061199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).