1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea

C19H21N3O3S — CID 110623601

IUPAC1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)NC1CCOCC1
InChIInChI=1S/C19H21N3O3S/c23-18(17-2-1-11-26-17)22-8-5-13-3-4-15(12-16(13)22)21-19(24)20-14-6-9-25-10-7-14/h1-4,11-12,14H,5-10H2,(H2,20,21,24)
InChIKeySCHDKKFPPVAFBC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.25
Rot. Bonds3

About 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea

1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 110623601) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
PubChem CID110623601
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)NC1CCOCC1
InChIInChI=1S/C19H21N3O3S/c23-18(17-2-1-11-26-17)22-8-5-13-3-4-15(12-16(13)22)21-19(24)20-14-6-9-25-10-7-14/h1-4,11-12,14H,5-10H2,(H2,20,21,24)
InChIKeySCHDKKFPPVAFBC-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
(3S)-5-oxo-5-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]-3-thiophen-2-ylpentanoic acid
CID 97354725
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
CID 169339335
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
[6-(propan-2-ylsulfamoylamino)-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 110623599
[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 168583344
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
CID 71806584
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea (CID 110623601) is 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea is O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)NC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is SCHDKKFPPVAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18(17-2-1-11-26-17)22-8-5-13-3-4-15(12-16(13)22)21-19(24)20-14-6-9-25-10-7-14/h1-4,11-12,14H,5-10H2,(H2,20,21,24).
What are the key properties of 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea?
1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 371.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 110623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).