(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

C20H31N3O5S — CID 55939568

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C20H31N3O5S/c1-14-6-4-5-7-19(14)28-13-12-21-20(25)15(2)23-29(26,27)18-10-8-17(9-11-18)22-16(3)24/h8-11,14-15,19,23H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24)/t14?,15-,19?/m0/s1
InChIKeyYNXIEHVQGKRPBC-HVEKOLDVSA-N
MW425.55 g/mol
LogP2.02
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (PubChem CID 55939568) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
PubChem CID55939568
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C20H31N3O5S/c1-14-6-4-5-7-19(14)28-13-12-21-20(25)15(2)23-29(26,27)18-10-8-17(9-11-18)22-16(3)24/h8-11,14-15,19,23H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24)/t14?,15-,19?/m0/s1
InChIKeyYNXIEHVQGKRPBC-HVEKOLDVSA-N
XLogP2.02
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55940319
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55724110
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (CID 55939568) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOC2CCCCC2C)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The InChIKey is YNXIEHVQGKRPBC-HVEKOLDVSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-14-6-4-5-7-19(14)28-13-12-21-20(25)15(2)23-29(26,27)18-10-8-17(9-11-18)22-16(3)24/h8-11,14-15,19,23H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24)/t14?,15-,19?/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide has a molecular weight of 425.55 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is sourced from PubChem (CID 55939568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).