(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide

C14H21N3O6S — CID 6667385

IUPAC(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O6S/c1-22-11-2-4-12(5-3-11)24(20,21)16-13(10-18)14(19)15-17-6-8-23-9-7-17/h2-5,13,16,18H,6-10H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyFRECNQRULGQKQT-ZDUSSCGKSA-N
MW359.40 g/mol
LogP-1.30
Rot. Bonds7

About (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide

(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide (PubChem CID 6667385) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
PubChem CID6667385
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Name(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O6S/c1-22-11-2-4-12(5-3-11)24(20,21)16-13(10-18)14(19)15-17-6-8-23-9-7-17/h2-5,13,16,18H,6-10H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyFRECNQRULGQKQT-ZDUSSCGKSA-N
XLogP-1.30
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
CID 4190087
methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
CID 22907030
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 4108774
methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate
CID 10552402
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
CID 25046566
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methylbenzenesulfonamide
CID 134917744
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 4108947
3-(4-methoxyphenyl)-2-methyl-N-morpholin-4-yl-3-oxopropanamide
CID 56993879
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide (CID 6667385) is (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide is COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NN2CCOCC2)cc1.
What is the InChIKey of (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide?
The InChIKey is FRECNQRULGQKQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-22-11-2-4-12(5-3-11)24(20,21)16-13(10-18)14(19)15-17-6-8-23-9-7-17/h2-5,13,16,18H,6-10H2,1H3,(H,15,19)/t13-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide?
(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide has a molecular weight of 359.40 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 6667385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).