1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea

C20H27N3O3S2 — CID 47085315

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea
SMILESCCCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C1CCc2ccccc21
InChIInChI=1S/C20H27N3O3S2/c1-4-13-23(18-11-9-15-7-5-6-8-17(15)18)20(24)21-14-16-10-12-19(27-16)28(25,26)22(2)3/h5-8,10,12,18H,4,9,11,13-14H2,1-3H3,(H,21,24)
InChIKeyQONYBFAWYZJCMH-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.61
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea

1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea (PubChem CID 47085315) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea
PubChem CID47085315
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea
SMILESCCCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C1CCc2ccccc21
InChIInChI=1S/C20H27N3O3S2/c1-4-13-23(18-11-9-15-7-5-6-8-17(15)18)20(24)21-14-16-10-12-19(27-16)28(25,26)22(2)3/h5-8,10,12,18H,4,9,11,13-14H2,1-3H3,(H,21,24)
InChIKeyQONYBFAWYZJCMH-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
CID 52528168
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 97034829
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97034691
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
CID 51128665
4-benzyl-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111152564
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea (CID 47085315) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea is CCCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea?
The InChIKey is QONYBFAWYZJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-4-13-23(18-11-9-15-7-5-6-8-17(15)18)20(24)21-14-16-10-12-19(27-16)28(25,26)22(2)3/h5-8,10,12,18H,4,9,11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea has a molecular weight of 421.59 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea is sourced from PubChem (CID 47085315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).