2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C25H29ClN2O4S — CID 3598706

IUPAC2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN2O4S/c1-25(2,3)28(33(30,31)23-13-11-21(26)12-14-23)19-24(29)27(18-22-10-7-17-32-22)16-15-20-8-5-4-6-9-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyAUUKVIIKLYXVLR-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.99
Rot. Bonds9

About 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 3598706) has the molecular formula C25H29ClN2O4S and a molecular weight of 489.04 g/mol. Its IUPAC name is 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID3598706
Molecular FormulaC25H29ClN2O4S
Molecular Weight489.04 g/mol
Exact Mass488.15
IUPAC Name2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN2O4S/c1-25(2,3)28(33(30,31)23-13-11-21(26)12-14-23)19-24(29)27(18-22-10-7-17-32-22)16-15-20-8-5-4-6-9-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyAUUKVIIKLYXVLR-UHFFFAOYSA-N
XLogP4.99
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3576114
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4291964
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3961353
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 3514353
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4315085
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 3598706) is 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is CC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is AUUKVIIKLYXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O4S/c1-25(2,3)28(33(30,31)23-13-11-21(26)12-14-23)19-24(29)27(18-22-10-7-17-32-22)16-15-20-8-5-4-6-9-20/h4-14,17H,15-16,18-19H2,1-3H3.
What are the key properties of 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 489.04 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).