1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C17H19N3O2S — CID 97201749

IUPAC1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C17H19N3O2S/c1-12-7-8-15(23-12)10-18-17(22)19-13-9-16(21)20(11-13)14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyNFVGEKVBCJBTHJ-CYBMUJFWSA-N
MW329.43 g/mol
LogP2.66
Rot. Bonds4

About 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 97201749) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID97201749
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C17H19N3O2S/c1-12-7-8-15(23-12)10-18-17(22)19-13-9-16(21)20(11-13)14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyNFVGEKVBCJBTHJ-CYBMUJFWSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97008019
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215891
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215080
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513345
1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215180
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564055
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513340

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 97201749) is 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is Cc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is NFVGEKVBCJBTHJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-7-8-15(23-12)10-18-17(22)19-13-9-16(21)20(11-13)14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3,(H2,18,19,22)/t13-/m1/s1.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 329.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97201749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).