(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide

C22H24N4O4S — CID 25336431

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21
InChIInChI=1S/C22H24N4O4S/c1-5-26-19-9-7-6-8-17(19)18-12-16(10-11-20(18)26)23-22(27)14(3)25-31(28,29)21-13(2)24-30-15(21)4/h6-12,14,25H,5H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyVZVNSFQVZHEROX-AWEZNQCLSA-N
MW440.53 g/mol
LogP3.72
Rot. Bonds6

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 25336431) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID25336431
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21
InChIInChI=1S/C22H24N4O4S/c1-5-26-19-9-7-6-8-17(19)18-12-16(10-11-20(18)26)23-22(27)14(3)25-31(28,29)21-13(2)24-30-15(21)4/h6-12,14,25H,5H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyVZVNSFQVZHEROX-AWEZNQCLSA-N
XLogP3.72
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 7274848
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide (CID 25336431) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is VZVNSFQVZHEROX-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-5-26-19-9-7-6-8-17(19)18-12-16(10-11-20(18)26)23-22(27)14(3)25-31(28,29)21-13(2)24-30-15(21)4/h6-12,14,25H,5H2,1-4H3,(H,23,27)/t14-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 440.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 25336431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).