1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

C21H33N3O2S — CID 86943756

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC2(N3CCSCC3)CCCC2)c1
InChIInChI=1S/C21H33N3O2S/c1-17(14-18-6-5-7-19(15-18)26-2)23-20(25)22-16-21(8-3-4-9-21)24-10-12-27-13-11-24/h5-7,15,17H,3-4,8-14,16H2,1-2H3,(H2,22,23,25)
InChIKeyFATACDDGNZSCBB-UHFFFAOYSA-N
MW391.58 g/mol
LogP3.29
Rot. Bonds7

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (PubChem CID 86943756) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
PubChem CID86943756
Molecular FormulaC21H33N3O2S
Molecular Weight391.58 g/mol
Exact Mass391.23
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC2(N3CCSCC3)CCCC2)c1
InChIInChI=1S/C21H33N3O2S/c1-17(14-18-6-5-7-19(15-18)26-2)23-20(25)22-16-21(8-3-4-9-21)24-10-12-27-13-11-24/h5-7,15,17H,3-4,8-14,16H2,1-2H3,(H2,22,23,25)
InChIKeyFATACDDGNZSCBB-UHFFFAOYSA-N
XLogP3.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea with MolForge

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Related Compounds

N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943218
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86943303
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 86943137
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (CID 86943756) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is COc1cccc(CC(C)NC(=O)NCC2(N3CCSCC3)CCCC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The InChIKey is FATACDDGNZSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-17(14-18-6-5-7-19(15-18)26-2)23-20(25)22-16-21(8-3-4-9-21)24-10-12-27-13-11-24/h5-7,15,17H,3-4,8-14,16H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea has a molecular weight of 391.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 86943756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).