1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

C24H25N3O3S — CID 55501917

IUPAC1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H25N3O3S/c1-29-17-8-10-18(11-9-17)30-13-12-25-24(28)27-16-21(23-7-4-14-31-23)20-15-26-22-6-3-2-5-19(20)22/h2-11,14-15,21,26H,12-13,16H2,1H3,(H2,25,27,28)
InChIKeyIVBDCSQYUWOALR-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.75
Rot. Bonds9

About 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 55501917) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID55501917
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H25N3O3S/c1-29-17-8-10-18(11-9-17)30-13-12-25-24(28)27-16-21(23-7-4-14-31-23)20-15-26-22-6-3-2-5-19(20)22/h2-11,14-15,21,26H,12-13,16H2,1H3,(H2,25,27,28)
InChIKeyIVBDCSQYUWOALR-UHFFFAOYSA-N
XLogP4.75
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8771215
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 55556675
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(2-methoxyethyl)thiourea
CID 55353457
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 55501917) is 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is IVBDCSQYUWOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-29-17-8-10-18(11-9-17)30-13-12-25-24(28)27-16-21(23-7-4-14-31-23)20-15-26-22-6-3-2-5-19(20)22/h2-11,14-15,21,26H,12-13,16H2,1H3,(H2,25,27,28).
What are the key properties of 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 435.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 55501917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).