1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

C20H21N3OS — CID 86904763

IUPAC1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESO=C(NCc1cc2ccccc2[nH]1)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C20H21N3OS/c24-19(21-13-16-12-15-6-4-5-9-18(15)23-16)22-14-20(10-11-20)25-17-7-2-1-3-8-17/h1-9,12,23H,10-11,13-14H2,(H2,21,22,24)
InChIKeyZCWQUIIGSSVNEH-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.29
Rot. Bonds6

About 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (PubChem CID 86904763) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
PubChem CID86904763
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESO=C(NCc1cc2ccccc2[nH]1)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C20H21N3OS/c24-19(21-13-16-12-15-6-4-5-9-18(15)23-16)22-14-20(10-11-20)25-17-7-2-1-3-8-17/h1-9,12,23H,10-11,13-14H2,(H2,21,22,24)
InChIKeyZCWQUIIGSSVNEH-UHFFFAOYSA-N
XLogP4.29
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea with MolForge

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Related Compounds

1H-indol-2-ylmethylcarbamic acid
CID 68691362
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-[(2-bromo-5-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)urea
CID 86870795
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86952438
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
CID 111454971
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1H-indol-2-ylmethyl)urea
CID 111505462
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
(3S)-3-amino-4-(1H-indol-2-ylmethylamino)-4-oxobutanoic acid
CID 69296115
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1H-indol-2-ylmethyl)urea
CID 111630800
1-(1H-indol-2-ylmethyl)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146077167

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (CID 86904763) is 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is O=C(NCc1cc2ccccc2[nH]1)NCC1(Sc2ccccc2)CC1.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The InChIKey is ZCWQUIIGSSVNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-19(21-13-16-12-15-6-4-5-9-18(15)23-16)22-14-20(10-11-20)25-17-7-2-1-3-8-17/h1-9,12,23H,10-11,13-14H2,(H2,21,22,24).
What are the key properties of 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea has a molecular weight of 351.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is sourced from PubChem (CID 86904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).