1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea

C16H20N2OS2 — CID 86263808

IUPAC1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C16H20N2OS2/c19-15(17-10-14-4-3-8-21-14)18-12-16(6-1-2-7-16)13-5-9-20-11-13/h3-5,8-9,11H,1-2,6-7,10,12H2,(H2,17,18,19)
InChIKeyRSLHMKGHPDMLJM-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.12
Rot. Bonds5

About 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 86263808) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID86263808
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C16H20N2OS2/c19-15(17-10-14-4-3-8-21-14)18-12-16(6-1-2-7-16)13-5-9-20-11-13/h3-5,8-9,11H,1-2,6-7,10,12H2,(H2,17,18,19)
InChIKeyRSLHMKGHPDMLJM-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
CID 146078739
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 97042716
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 154581683
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
N,N-dimethyl-2-[[[(1-thiophen-2-ylcyclohexyl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111637354
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901

Frequently Asked Questions

What is the IUPAC name of 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 86263808) is 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is RSLHMKGHPDMLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c19-15(17-10-14-4-3-8-21-14)18-12-16(6-1-2-7-16)13-5-9-20-11-13/h3-5,8-9,11H,1-2,6-7,10,12H2,(H2,17,18,19).
What are the key properties of 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 320.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 86263808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).