N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide

C22H29N3OS — CID 48947382

IUPACN-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide
SMILESCc1ccccc1NC(=O)C(C)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C22H29N3OS/c1-17-5-3-4-6-21(17)24-22(26)18(2)23-20-9-7-19(8-10-20)11-12-25-13-15-27-16-14-25/h3-10,18,23H,11-16H2,1-2H3,(H,24,26)
InChIKeyMQZFAJGSNALZPN-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.03
Rot. Bonds7

About N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide

N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide (PubChem CID 48947382) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide
PubChem CID48947382
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide
SMILESCc1ccccc1NC(=O)C(C)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C22H29N3OS/c1-17-5-3-4-6-21(17)24-22(26)18(2)23-20-9-7-19(8-10-20)11-12-25-13-15-27-16-14-25/h3-10,18,23H,11-16H2,1-2H3,(H,24,26)
InChIKeyMQZFAJGSNALZPN-UHFFFAOYSA-N
XLogP4.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
3-amino-2-methyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 120503508
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95304132
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 86796852
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
1-[1-(4-chlorophenyl)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606653
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
4-bromo-5-propan-2-yl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56565687
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119869951

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide (CID 48947382) is N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide is Cc1ccccc1NC(=O)C(C)Nc1ccc(CCN2CCSCC2)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide?
The InChIKey is MQZFAJGSNALZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-17-5-3-4-6-21(17)24-22(26)18(2)23-20-9-7-19(8-10-20)11-12-25-13-15-27-16-14-25/h3-10,18,23H,11-16H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide?
N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide has a molecular weight of 383.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide is sourced from PubChem (CID 48947382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).