2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C20H29N3O4S — CID 42956356

IUPAC2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C1CC1)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C20H29N3O4S/c1-15(16-5-6-16)23(18-7-8-18)14-20(24)21-17-3-2-4-19(13-17)28(25,26)22-9-11-27-12-10-22/h2-4,13,15-16,18H,5-12,14H2,1H3,(H,21,24)
InChIKeyTUHSTPBPEUMTHD-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.91
Rot. Bonds8

About 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 42956356) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID42956356
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C1CC1)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C20H29N3O4S/c1-15(16-5-6-16)23(18-7-8-18)14-20(24)21-17-3-2-4-19(13-17)28(25,26)22-9-11-27-12-10-22/h2-4,13,15-16,18H,5-12,14H2,1H3,(H,21,24)
InChIKeyTUHSTPBPEUMTHD-UHFFFAOYSA-N
XLogP1.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46602367
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 18287991
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 42956356) is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is CC(C1CC1)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is TUHSTPBPEUMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15(16-5-6-16)23(18-7-8-18)14-20(24)21-17-3-2-4-19(13-17)28(25,26)22-9-11-27-12-10-22/h2-4,13,15-16,18H,5-12,14H2,1H3,(H,21,24).
What are the key properties of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 407.54 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42956356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).