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

C18H23N5O5S — CID 37293945

IUPAC(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H23N5O5S/c1-10-16(12(3)28-22-10)29(26,27)23-11(2)17(24)19-13-4-6-14(7-5-13)20-18(25)21-15-8-9-15/h4-7,11,15,23H,8-9H2,1-3H3,(H,19,24)(H2,20,21,25)/t11-/m0/s1
InChIKeyIEXGZDRMUCSCCT-NSHDSACASA-N
MW421.48 g/mol
LogP1.88
Rot. Bonds7

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

(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 37293945) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID37293945
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC Name(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H23N5O5S/c1-10-16(12(3)28-22-10)29(26,27)23-11(2)17(24)19-13-4-6-14(7-5-13)20-18(25)21-15-8-9-15/h4-7,11,15,23H,8-9H2,1-3H3,(H,19,24)(H2,20,21,25)/t11-/m0/s1
InChIKeyIEXGZDRMUCSCCT-NSHDSACASA-N
XLogP1.88
TPSA142.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide with MolForge

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Related Compounds

cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120676458
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(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 37293945) is (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is IEXGZDRMUCSCCT-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N5O5S/c1-10-16(12(3)28-22-10)29(26,27)23-11(2)17(24)19-13-4-6-14(7-5-13)20-18(25)21-15-8-9-15/h4-7,11,15,23H,8-9H2,1-3H3,(H,19,24)(H2,20,21,25)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 421.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 37293945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).