N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C21H25N3O6S — CID 55962001

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H25N3O6S/c1-15-2-7-18(31(27,28)24-9-12-29-13-10-24)14-19(15)21(26)23-16-3-5-17(6-4-16)30-11-8-20(22)25/h2-7,14H,8-13H2,1H3,(H2,22,25)(H,23,26)
InChIKeyBEPGVSHMKDDAPI-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.52
Rot. Bonds8

About N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55962001) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55962001
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H25N3O6S/c1-15-2-7-18(31(27,28)24-9-12-29-13-10-24)14-19(15)21(26)23-16-3-5-17(6-4-16)30-11-8-20(22)25/h2-7,14H,8-13H2,1H3,(H2,22,25)(H,23,26)
InChIKeyBEPGVSHMKDDAPI-UHFFFAOYSA-N
XLogP1.52
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55498032
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 29142216
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methoxy-5-morpholin-4-ylsulfonyl-N-(4-phenylmethoxyphenyl)benzamide
CID 27843834
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 55962001) is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BEPGVSHMKDDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-15-2-7-18(31(27,28)24-9-12-29-13-10-24)14-19(15)21(26)23-16-3-5-17(6-4-16)30-11-8-20(22)25/h2-7,14H,8-13H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55962001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).