N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide

C23H24N4O3S — CID 78892954

IUPACN-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
SMILESCC(NC(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-15(16-7-11-19(12-8-16)30-14-21(28)26-18-9-10-18)25-22(29)27-23-24-13-20(31-23)17-5-3-2-4-6-17/h2-8,11-13,15,18H,9-10,14H2,1H3,(H,26,28)(H2,24,25,27,29)
InChIKeyUPHFOXKYTVULJX-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.35
Rot. Bonds8

About N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide

N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide (PubChem CID 78892954) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
PubChem CID78892954
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
SMILESCC(NC(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-15(16-7-11-19(12-8-16)30-14-21(28)26-18-9-10-18)25-22(29)27-23-24-13-20(31-23)17-5-3-2-4-6-17/h2-8,11-13,15,18H,9-10,14H2,1H3,(H,26,28)(H2,24,25,27,29)
InChIKeyUPHFOXKYTVULJX-UHFFFAOYSA-N
XLogP4.35
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide
CID 86841872
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112843376
ethyl (2R,3R)-2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 99783909
ethyl 2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 86815396
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
1-benzyl-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836160
2-(aminomethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119720936
N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide
CID 78898532
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
CID 48769108
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide (CID 78892954) is N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide is CC(NC(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide?
The InChIKey is UPHFOXKYTVULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15(16-7-11-19(12-8-16)30-14-21(28)26-18-9-10-18)25-22(29)27-23-24-13-20(31-23)17-5-3-2-4-6-17/h2-8,11-13,15,18H,9-10,14H2,1H3,(H,26,28)(H2,24,25,27,29).
What are the key properties of N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide?
N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide has a molecular weight of 436.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 78892954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).