N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C23H30N2O4S — CID 42916663

IUPACN-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C23H30N2O4S/c1-4-19(3)25(17-20-8-6-5-7-9-20)23(26)22-16-21(11-10-18(22)2)30(27,28)24-12-14-29-15-13-24/h5-11,16,19H,4,12-15,17H2,1-3H3
InChIKeyFLRBBHRLIZPEQK-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.46
Rot. Bonds7

About N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 42916663) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID42916663
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C23H30N2O4S/c1-4-19(3)25(17-20-8-6-5-7-9-20)23(26)22-16-21(11-10-18(22)2)30(27,28)24-12-14-29-15-13-24/h5-11,16,19H,4,12-15,17H2,1-3H3
InChIKeyFLRBBHRLIZPEQK-UHFFFAOYSA-N
XLogP3.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 42916663) is N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide is CCC(C)N(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FLRBBHRLIZPEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-19(3)25(17-20-8-6-5-7-9-20)23(26)22-16-21(11-10-18(22)2)30(27,28)24-12-14-29-15-13-24/h5-11,16,19H,4,12-15,17H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 42916663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).