N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C22H26N2O4S — CID 24541794

IUPACN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H26N2O4S/c25-22(19-9-8-17-6-3-7-18(17)14-19)23-15-20-4-1-2-5-21(20)16-29(26,27)24-10-12-28-13-11-24/h1-2,4-5,8-9,14H,3,6-7,10-13,15-16H2,(H,23,25)
InChIKeyHJGAQQJDTVVNIU-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.27
Rot. Bonds6

About N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 24541794) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID24541794
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H26N2O4S/c25-22(19-9-8-17-6-3-7-18(17)14-19)23-15-20-4-1-2-5-21(20)16-29(26,27)24-10-12-28-13-11-24/h1-2,4-5,8-9,14H,3,6-7,10-13,15-16H2,(H,23,25)
InChIKeyHJGAQQJDTVVNIU-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24541806
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24541807
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 24541794) is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HJGAQQJDTVVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-22(19-9-8-17-6-3-7-18(17)14-19)23-15-20-4-1-2-5-21(20)16-29(26,27)24-10-12-28-13-11-24/h1-2,4-5,8-9,14H,3,6-7,10-13,15-16H2,(H,23,25).
What are the key properties of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 24541794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).