4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide

C18H29N3O4S — CID 120653317

IUPAC4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-15-6-7-16(18(22)20-13-14(3)19-5-2)12-17(15)26(23,24)21-8-10-25-11-9-21/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBTVGSBRQRUBCMD-CQSZACIVSA-N
MW383.51 g/mol
LogP1.00
Rot. Bonds8

About 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 120653317) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID120653317
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-15-6-7-16(18(22)20-13-14(3)19-5-2)12-17(15)26(23,24)21-8-10-25-11-9-21/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBTVGSBRQRUBCMD-CQSZACIVSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide (CID 120653317) is 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide is CCN[C@H](C)CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BTVGSBRQRUBCMD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-15-6-7-16(18(22)20-13-14(3)19-5-2)12-17(15)26(23,24)21-8-10-25-11-9-21/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 120653317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).